6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide

C23H26N6O3S2 — CID 139897624

IUPAC6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)CN(C)CC5)CC3)ccc2c1
InChIInChI=1S/C23H26N6O3S2/c1-27-7-6-19-20(14-27)33-22(26-19)23(30)28-8-10-29(11-9-28)34(31,32)18-5-4-15-12-17(21(24)25)3-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3,(H3,24,25)
InChIKeyCYNXTVSOIZGYMI-UHFFFAOYSA-N
MW498.63 g/mol
LogP1.71
Rot. Bonds4

About 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide

6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide (PubChem CID 139897624) has the molecular formula C23H26N6O3S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
PubChem CID139897624
Molecular FormulaC23H26N6O3S2
Molecular Weight498.63 g/mol
Exact Mass498.15
IUPAC Name6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)CN(C)CC5)CC3)ccc2c1
InChIInChI=1S/C23H26N6O3S2/c1-27-7-6-19-20(14-27)33-22(26-19)23(30)28-8-10-29(11-9-28)34(31,32)18-5-4-15-12-17(21(24)25)3-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3,(H3,24,25)
InChIKeyCYNXTVSOIZGYMI-UHFFFAOYSA-N
XLogP1.71
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-bromonaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 139897812
4-(6-carbamimidoylnaphthalen-2-yl)sulfonyl-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxylic acid
CID 22710863
ethyl 4-[(6-carbamimidoyl-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxylate
CID 139898105
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 139897505
2-[4-[(6-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]-N-methylacetamide
CID 139897609
N'-hydroxy-6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2H-tetrazol-5-ylmethyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide
CID 139897571
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide
CID 139897613
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
CID 10256934
2-[4-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1H-indole-5-carboximidamide
CID 22710495
2-[4-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carbonyl]piperazin-1-yl]acetic acid
CID 139897720
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22711230

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide?
The IUPAC name of 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide (CID 139897624) is 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide.
What is the SMILES notation for 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide?
The canonical SMILES for 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cc(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)CN(C)CC5)CC3)ccc2c1.
What is the InChIKey of 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide?
The InChIKey is CYNXTVSOIZGYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S2/c1-27-7-6-19-20(14-27)33-22(26-19)23(30)28-8-10-29(11-9-28)34(31,32)18-5-4-15-12-17(21(24)25)3-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3,(H3,24,25).
What are the key properties of 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide?
6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide has a molecular weight of 498.63 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-1-yl]sulfonylnaphthalene-2-carboximidamide is sourced from PubChem (CID 139897624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).