2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide

C19H18N4O3S2 — CID 171358520

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C19H18N4O3S2/c24-18(11-15-12-27-19(22-15)23-28(25,26)16-8-9-16)21-14-6-4-13(5-7-14)17-3-1-2-10-20-17/h1-7,10,12,16H,8-9,11H2,(H,21,24)(H,22,23)
InChIKeyXZVWETQVKOPACV-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 171358520) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide
PubChem CID171358520
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C19H18N4O3S2/c24-18(11-15-12-27-19(22-15)23-28(25,26)16-8-9-16)21-14-6-4-13(5-7-14)17-3-1-2-10-20-17/h1-7,10,12,16H,8-9,11H2,(H,21,24)(H,22,23)
InChIKeyXZVWETQVKOPACV-UHFFFAOYSA-N
XLogP3.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
3-{2-[(Pyridine-2-sulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10215918
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
2-(2-cyclopropanesulfonamido-1,3-thiazol-4-yl)-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
CID 138674003
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide (CID 171358520) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)C2CC2)n1)Nc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is XZVWETQVKOPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c24-18(11-15-12-27-19(22-15)23-28(25,26)16-8-9-16)21-14-6-4-13(5-7-14)17-3-1-2-10-20-17/h1-7,10,12,16H,8-9,11H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 171358520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).