2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide

C21H19FN4O3S2 — CID 138701205

IUPAC2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)cc1)C1CCc2nc(NS(=O)(=O)C3CC3)sc21
InChIInChI=1S/C21H19FN4O3S2/c22-14-9-13(10-23-11-14)12-1-3-15(4-2-12)24-20(27)17-7-8-18-19(17)30-21(25-18)26-31(28,29)16-5-6-16/h1-4,9-11,16-17H,5-8H2,(H,24,27)(H,25,26)
InChIKeyRYUUMHKXRUEENA-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.92
Rot. Bonds6

About 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide

2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide (PubChem CID 138701205) has the molecular formula C21H19FN4O3S2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide
PubChem CID138701205
Molecular FormulaC21H19FN4O3S2
Molecular Weight458.54 g/mol
Exact Mass458.09
IUPAC Name2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)cc1)C1CCc2nc(NS(=O)(=O)C3CC3)sc21
InChIInChI=1S/C21H19FN4O3S2/c22-14-9-13(10-23-11-14)12-1-3-15(4-2-12)24-20(27)17-7-8-18-19(17)30-21(25-18)26-31(28,29)16-5-6-16/h1-4,9-11,16-17H,5-8H2,(H,24,27)(H,25,26)
InChIKeyRYUUMHKXRUEENA-UHFFFAOYSA-N
XLogP3.92
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylsulfonylamino)-N-(4-pyridin-3-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 138673819
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]-2-methylpropanamide
CID 150516676
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 138673682
N-[4-(5-cyano-3-pyridinyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethylbutanamide
CID 138673927
N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
CID 139513253
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxy-N-(4-pyridin-3-ylphenyl)acetamide
CID 138673721
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)prop-2-enamide
CID 138673575
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyridin-3-ylphenyl)butanamide
CID 138673665
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-ethyl-N-[4-(5-fluoro-3-pyridinyl)phenyl]butanamide
CID 138701381
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide?
The IUPAC name of 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide (CID 138701205) is 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide is O=C(Nc1ccc(-c2cncc(F)c2)cc1)C1CCc2nc(NS(=O)(=O)C3CC3)sc21.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide?
The InChIKey is RYUUMHKXRUEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S2/c22-14-9-13(10-23-11-14)12-1-3-15(4-2-12)24-20(27)17-7-8-18-19(17)30-21(25-18)26-31(28,29)16-5-6-16/h1-4,9-11,16-17H,5-8H2,(H,24,27)(H,25,26).
What are the key properties of 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide?
2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-N-[4-(5-fluoro-3-pyridinyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 138701205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).