N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide

C18H17ClN2OS — CID 8750441

IUPACN-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2OS/c1-12-4-3-5-14(10-12)17(22)21(18-20-13(2)11-23-18)16-8-6-15(19)7-9-16/h3-10,13H,11H2,1-2H3/t13-/m1/s1
InChIKeyWMNRIUXELVNFTL-CYBMUJFWSA-N
MW344.87 g/mol
LogP4.79
Rot. Bonds2

About N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide

N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide (PubChem CID 8750441) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
PubChem CID8750441
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN2OS/c1-12-4-3-5-14(10-12)17(22)21(18-20-13(2)11-23-18)16-8-6-15(19)7-9-16/h3-10,13H,11H2,1-2H3/t13-/m1/s1
InChIKeyWMNRIUXELVNFTL-CYBMUJFWSA-N
XLogP4.79
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide
CID 2497344
N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750367
N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 40942282
N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750387
N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8004475
N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 8834206
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 2539101
(4-amino-4,5-dihydro-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
CID 154476324
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-methyl-N,N-bis(trideuteriomethyl)benzamide
CID 167709287
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide (CID 8750441) is N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide is Cc1cccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
The InChIKey is WMNRIUXELVNFTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-12-4-3-5-14(10-12)17(22)21(18-20-13(2)11-23-18)16-8-6-15(19)7-9-16/h3-10,13H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide has a molecular weight of 344.87 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8750441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).