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

C19H18N4O2S2 — CID 138701338

IUPAC2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H18N4O2S2/c24-18(11-16-12-26-19(22-16)23-27(25)17-5-6-17)21-15-3-1-13(2-4-15)14-7-9-20-10-8-14/h1-4,7-10,12,17H,5-6,11H2,(H,21,24)(H,22,23)
InChIKeyDWKSWDBFSJHXOM-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.62
Rot. Bonds7

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

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 138701338) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
PubChem CID138701338
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H18N4O2S2/c24-18(11-16-12-26-19(22-16)23-27(25)17-5-6-17)21-15-3-1-13(2-4-15)14-7-9-20-10-8-14/h1-4,7-10,12,17H,5-6,11H2,(H,21,24)(H,22,23)
InChIKeyDWKSWDBFSJHXOM-UHFFFAOYSA-N
XLogP3.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
CID 138701461
N-[4-(4-tert-butylphenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]acetamide
CID 138673723
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyrimidin-5-ylphenyl)butanamide
CID 138701131
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-ethyl-N-[4-(5-fluoro-3-pyridinyl)phenyl]butanamide
CID 138701381
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide (CID 138701338) is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide is O=C(Cc1csc(NS(=O)C2CC2)n1)Nc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is DWKSWDBFSJHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c24-18(11-16-12-26-19(22-16)23-27(25)17-5-6-17)21-15-3-1-13(2-4-15)14-7-9-20-10-8-14/h1-4,7-10,12,17H,5-6,11H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide?
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 138701338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).