4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide

C13H14ClN3O2S — CID 3245252

IUPAC4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H14ClN3O2S/c1-8(11(18)17-13-15-6-7-20-13)16-12(19)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyNIDWRQVKQHTQNQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.68
Rot. Bonds3

About 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 3245252) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
PubChem CID3245252
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H14ClN3O2S/c1-8(11(18)17-13-15-6-7-20-13)16-12(19)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyNIDWRQVKQHTQNQ-UHFFFAOYSA-N
XLogP1.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
Stk355711
CID 2460056
(2S)-2-[(4-chlorophenyl)formamido]-N-cyclopentyl-7-sulfanylheptanamide
CID 23634890
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
4-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769118
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
2,4-dichloro-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380036
3-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769116
4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2936726
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide (CID 3245252) is 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is NIDWRQVKQHTQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8(11(18)17-13-15-6-7-20-13)16-12(19)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 311.79 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 3245252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).