3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

C11H11ClN2OS — CID 924612

IUPAC3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2=NCCS2)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-2-3-8(6-9(7)12)10(15)14-11-13-4-5-16-11/h2-3,6H,4-5H2,1H3,(H,13,14,15)
InChIKeyFUXODYGFMVOKKU-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.48
Rot. Bonds1

About 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide (PubChem CID 924612) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
PubChem CID924612
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2=NCCS2)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-2-3-8(6-9(7)12)10(15)14-11-13-4-5-16-11/h2-3,6H,4-5H2,1H3,(H,13,14,15)
InChIKeyFUXODYGFMVOKKU-UHFFFAOYSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
Stk355711
CID 2460056
N-(4,5-Dihydro-2-thiazolyl)-3-methylbenzamide
CID 799139
3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 924592
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 2402452
2,5-Dichloro-N-(4,5-dihydro-thiazol-2-yl)-benzamide
CID 924600
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
N-[4-(2-chlorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669676
N-[4-(3-chlorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669679
3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
CID 1486941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide (CID 924612) is 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2=NCCS2)cc1Cl.
What is the InChIKey of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
The InChIKey is FUXODYGFMVOKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-2-3-8(6-9(7)12)10(15)14-11-13-4-5-16-11/h2-3,6H,4-5H2,1H3,(H,13,14,15).
What are the key properties of 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide has a molecular weight of 254.74 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 924612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).