N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide

C15H13ClN2O3S — CID 97012450

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide
SMILESO=C(C[C@@H]1COC(=O)C1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H13ClN2O3S/c16-11-3-1-10(2-4-11)12-8-22-15(17-12)18-13(19)5-9-6-14(20)21-7-9/h1-4,8-9H,5-7H2,(H,17,18,19)/t9-/m0/s1
InChIKeyPWWHQZFNNQBFAK-VIFPVBQESA-N
MW336.80 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide (PubChem CID 97012450) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide
PubChem CID97012450
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide
SMILESO=C(C[C@@H]1COC(=O)C1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H13ClN2O3S/c16-11-3-1-10(2-4-11)12-8-22-15(17-12)18-13(19)5-9-6-14(20)21-7-9/h1-4,8-9H,5-7H2,(H,17,18,19)/t9-/m0/s1
InChIKeyPWWHQZFNNQBFAK-VIFPVBQESA-N
XLogP3.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 3342805
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 17282538
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 18573284
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide (CID 97012450) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide is O=C(C[C@@H]1COC(=O)C1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide?
The InChIKey is PWWHQZFNNQBFAK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-11-3-1-10(2-4-11)12-8-22-15(17-12)18-13(19)5-9-6-14(20)21-7-9/h1-4,8-9H,5-7H2,(H,17,18,19)/t9-/m0/s1.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide has a molecular weight of 336.80 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-5-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 97012450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).