2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide

C28H37ClN6O6S2 — CID 139897846

IUPAC2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C28H37ClN6O6S2/c1-32-7-6-23-24(18-32)42-27(31-23)28(37)35-9-8-34(17-21(35)16-26(36)33(10-12-40-2)11-13-41-3)43(38,39)25-15-19-14-20(29)4-5-22(19)30-25/h4-5,14-15,21,30H,6-13,16-18H2,1-3H3
InChIKeyUZWRYGQVZKZJLM-UHFFFAOYSA-N
MW653.23 g/mol
LogP2.29
Rot. Bonds11

About 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 139897846) has the molecular formula C28H37ClN6O6S2 and a molecular weight of 653.23 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID139897846
Molecular FormulaC28H37ClN6O6S2
Molecular Weight653.23 g/mol
Exact Mass652.19
IUPAC Name2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C28H37ClN6O6S2/c1-32-7-6-23-24(18-32)42-27(31-23)28(37)35-9-8-34(17-21(35)16-26(36)33(10-12-40-2)11-13-41-3)43(38,39)25-15-19-14-20(29)4-5-22(19)30-25/h4-5,14-15,21,30H,6-13,16-18H2,1-3H3
InChIKeyUZWRYGQVZKZJLM-UHFFFAOYSA-N
XLogP2.29
TPSA128.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide with MolForge

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Related Compounds

2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 139897658
ethyl 3-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]propanoate
CID 139897914
1-[[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]methyl]pyrrolidine-2,5-dione
CID 139898071
4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxylic acid
CID 139897988
1-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-4-hydroxypyrrolidin-2-one
CID 139898094
3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,2,4-oxadiazolidin-5-one
CID 139897586
3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 139897073
2-[4-[[5-(N-methoxycarbonylcarbamimidoyl)-1H-indol-2-yl]sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]acetic acid
CID 139897392
3-[4-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-dimethylpropanamide
CID 139897564
ethyl 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5,6-dimethyl-4,7-dihydro-[1,3]thiazolo[4,5-d]pyridazine-2-carbonyl)piperazine-2-carboxylate
CID 139897240
ethyl 2-[[2-[4-[(5-carbamimidoyl-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]acetyl]amino]acetate
CID 139897795
2-[1-(5-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-4-[(5-ethynyl-1H-indol-2-yl)sulfonyl]piperazin-2-yl]-N,N-dimethylacetamide
CID 139897838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 139897846) is 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)CC1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1nc2c(s1)CN(C)CC2.
What is the InChIKey of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is UZWRYGQVZKZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN6O6S2/c1-32-7-6-23-24(18-32)42-27(31-23)28(37)35-9-8-34(17-21(35)16-26(36)33(10-12-40-2)11-13-41-3)43(38,39)25-15-19-14-20(29)4-5-22(19)30-25/h4-5,14-15,21,30H,6-13,16-18H2,1-3H3.
What are the key properties of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 653.23 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 139897846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).