3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C19H17ClN4O2S — CID 55487003

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-12(25)22-16(13-5-7-14(20)8-6-13)10-18(26)24-19-23-17(11-27-19)15-4-2-3-9-21-15/h2-9,11,16H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyBBBUUXSUTDYQTQ-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.06
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 55487003) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID55487003
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-12(25)22-16(13-5-7-14(20)8-6-13)10-18(26)24-19-23-17(11-27-19)15-4-2-3-9-21-15/h2-9,11,16H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyBBBUUXSUTDYQTQ-UHFFFAOYSA-N
XLogP4.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 43038764
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4020241
3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 134012182
2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4800248
3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 55485822
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 24686062
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 55487003) is 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is CC(=O)NC(CC(=O)Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BBBUUXSUTDYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-12(25)22-16(13-5-7-14(20)8-6-13)10-18(26)24-19-23-17(11-27-19)15-4-2-3-9-21-15/h2-9,11,16H,10H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 400.89 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 55487003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).