3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

C18H22ClN3O2S — CID 154872884

IUPAC3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(Cl)cc2[nH]c(C(=O)N3CSCC3C(=O)N(C)C(C)C)cc12
InChIInChI=1S/C18H22ClN3O2S/c1-10(2)21(4)18(24)16-8-25-9-22(16)17(23)15-7-13-11(3)5-12(19)6-14(13)20-15/h5-7,10,16,20H,8-9H2,1-4H3
InChIKeyANMMUCIJXSRTAE-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.51
Rot. Bonds3

About 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 154872884) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID154872884
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(Cl)cc2[nH]c(C(=O)N3CSCC3C(=O)N(C)C(C)C)cc12
InChIInChI=1S/C18H22ClN3O2S/c1-10(2)21(4)18(24)16-8-25-9-22(16)17(23)15-7-13-11(3)5-12(19)6-14(13)20-15/h5-7,10,16,20H,8-9H2,1-4H3
InChIKeyANMMUCIJXSRTAE-UHFFFAOYSA-N
XLogP3.51
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 166427848
5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119127697
(4S)-3-(isoquinoline-1-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95282188
(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95302302
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide
CID 166314714
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 167808805
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
CID 122650225
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104772644

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 154872884) is 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is Cc1cc(Cl)cc2[nH]c(C(=O)N3CSCC3C(=O)N(C)C(C)C)cc12.
What is the InChIKey of 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ANMMUCIJXSRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-10(2)21(4)18(24)16-8-25-9-22(16)17(23)15-7-13-11(3)5-12(19)6-14(13)20-15/h5-7,10,16,20H,8-9H2,1-4H3.
What are the key properties of 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 379.91 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 154872884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).