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

C18H14ClN3OS — CID 8750367

IUPACN-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
SMILESC[C@@H]1CSC(N(C(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H14ClN3OS/c1-12-11-24-18(21-12)22(16-8-6-15(19)7-9-16)17(23)14-4-2-13(10-20)3-5-14/h2-9,12H,11H2,1H3/t12-/m1/s1
InChIKeyYRHOCSBZQXUKSX-GFCCVEGCSA-N
MW355.85 g/mol
LogP4.35
Rot. Bonds2

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

N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide (PubChem CID 8750367) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
PubChem CID8750367
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
SMILESC[C@@H]1CSC(N(C(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H14ClN3OS/c1-12-11-24-18(21-12)22(16-8-6-15(19)7-9-16)17(23)14-4-2-13(10-20)3-5-14/h2-9,12H,11H2,1H3/t12-/m1/s1
InChIKeyYRHOCSBZQXUKSX-GFCCVEGCSA-N
XLogP4.35
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750441
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
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750388
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 2539101
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
(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 8750258
4-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62981009
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
4-[4-(4-chlorophenyl)-4-oxobutanoyl]benzonitrile
CID 135368287
4-[(5S)-2-(4-chlorophenyl)imino-5-methyl-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 7916517
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide (CID 8750367) is N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide is C[C@@H]1CSC(N(C(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc2)=N1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
The InChIKey is YRHOCSBZQXUKSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-12-11-24-18(21-12)22(16-8-6-15(19)7-9-16)17(23)14-4-2-13(10-20)3-5-14/h2-9,12H,11H2,1H3/t12-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide?
N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide has a molecular weight of 355.85 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8750367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).