2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide

C20H21F2N5O2S3 — CID 167829003

IUPAC2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide
SMILESNc1nc2c(s1)CN(c1nc(S(=O)(=O)NC3(c4cc(F)ccc4F)CCCC3)cs1)CC2
InChIInChI=1S/C20H21F2N5O2S3/c21-12-3-4-14(22)13(9-12)20(6-1-2-7-20)26-32(28,29)17-11-30-19(25-17)27-8-5-15-16(10-27)31-18(23)24-15/h3-4,9,11,26H,1-2,5-8,10H2,(H2,23,24)
InChIKeyJAWGXXJSUWVTIG-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide

2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide (PubChem CID 167829003) has the molecular formula C20H21F2N5O2S3 and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide
PubChem CID167829003
Molecular FormulaC20H21F2N5O2S3
Molecular Weight497.62 g/mol
Exact Mass497.08
IUPAC Name2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide
SMILESNc1nc2c(s1)CN(c1nc(S(=O)(=O)NC3(c4cc(F)ccc4F)CCCC3)cs1)CC2
InChIInChI=1S/C20H21F2N5O2S3/c21-12-3-4-14(22)13(9-12)20(6-1-2-7-20)26-32(28,29)17-11-30-19(25-17)27-8-5-15-16(10-27)31-18(23)24-15/h3-4,9,11,26H,1-2,5-8,10H2,(H2,23,24)
InChIKeyJAWGXXJSUWVTIG-UHFFFAOYSA-N
XLogP3.77
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide with MolForge

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Related Compounds

sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 23671555
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505346
5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505349
5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383113
CID 88582272
CID 88582272
5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 71777898
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133422467
2-amino-N,N-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-sulfonamide
CID 28505358
1-[(2,5-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124069
1-[5-[(2,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530112
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
CID 157311752

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide (CID 167829003) is 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide is Nc1nc2c(s1)CN(c1nc(S(=O)(=O)NC3(c4cc(F)ccc4F)CCCC3)cs1)CC2.
What is the InChIKey of 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide?
The InChIKey is JAWGXXJSUWVTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2S3/c21-12-3-4-14(22)13(9-12)20(6-1-2-7-20)26-32(28,29)17-11-30-19(25-17)27-8-5-15-16(10-27)31-18(23)24-15/h3-4,9,11,26H,1-2,5-8,10H2,(H2,23,24).
What are the key properties of 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide?
2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide has a molecular weight of 497.62 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 167829003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).