N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H21ClF3N3OS — CID 118909473

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1
InChIInChI=1S/C19H21ClF3N3OS/c1-11-5-3-4-8-26(11)10-16-17(25-18(28-16)24-12(2)27)13-6-7-15(20)14(9-13)19(21,22)23/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,24,25,27)/t11-/m1/s1
InChIKeyVATMYILVUCYYIR-LLVKDONJSA-N
MW431.91 g/mol
LogP5.82
Rot. Bonds4

About N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 118909473) has the molecular formula C19H21ClF3N3OS and a molecular weight of 431.91 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID118909473
Molecular FormulaC19H21ClF3N3OS
Molecular Weight431.91 g/mol
Exact Mass431.10
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1
InChIInChI=1S/C19H21ClF3N3OS/c1-11-5-3-4-8-26(11)10-16-17(25-18(28-16)24-12(2)27)13-6-7-15(20)14(9-13)19(21,22)23/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,24,25,27)/t11-/m1/s1
InChIKeyVATMYILVUCYYIR-LLVKDONJSA-N
XLogP5.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.91
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2446278
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 132941378
N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 152875297
4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155545649
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(3,5-difluorophenyl)methyl]piperidine-4-carboxamide
CID 155546416
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 155556231
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 155568760
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-piperidinoacetamide
CID 334415
Trans-2-chloro-N-{4-[(4,5-dimethyl-thiazol-2-ylamino)-methyl]-cyclohexyl}-5-trifluoromethyl-benzamide
CID 59186847
(2S)-2-amino-N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 23644673
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-piperidin-1-ylpentanamide
CID 57500973
N-[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 155545842

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 118909473) is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)c(CN2CCCC[C@H]2C)s1.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VATMYILVUCYYIR-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21ClF3N3OS/c1-11-5-3-4-8-26(11)10-16-17(25-18(28-16)24-12(2)27)13-6-7-15(20)14(9-13)19(21,22)23/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,24,25,27)/t11-/m1/s1.
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 431.91 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118909473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).