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

C18H16Cl2N2OS — CID 8750387

IUPACN,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
SMILESC[C@H]1CSC(N(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H16Cl2N2OS/c1-12-11-24-18(21-12)22(16-8-6-15(20)7-9-16)17(23)10-13-2-4-14(19)5-3-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyGQUNYDYTMIIFID-LBPRGKRZSA-N
MW379.31 g/mol
LogP5.06
Rot. Bonds3

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

N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide (PubChem CID 8750387) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
PubChem CID8750387
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC NameN,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
SMILESC[C@H]1CSC(N(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H16Cl2N2OS/c1-12-11-24-18(21-12)22(16-8-6-15(20)7-9-16)17(23)10-13-2-4-14(19)5-3-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyGQUNYDYTMIIFID-LBPRGKRZSA-N
XLogP5.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.31
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750359
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
(3S)-3-acetamido-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41130564
N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide
CID 2497344
N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750441
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
(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 8750258
N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 23339055
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide (CID 8750387) is N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide is C[C@H]1CSC(N(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1.
What is the InChIKey of N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The InChIKey is GQUNYDYTMIIFID-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c1-12-11-24-18(21-12)22(16-8-6-15(20)7-9-16)17(23)10-13-2-4-14(19)5-3-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.31 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8750387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).