2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide

C16H18ClFN2OS — CID 97155572

IUPAC2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
SMILESCc1nc([C@@H](C)N(C)C(=O)c2c(F)ccc(C)c2Cl)c(C)s1
InChIInChI=1S/C16H18ClFN2OS/c1-8-6-7-12(18)13(14(8)17)16(21)20(5)9(2)15-10(3)22-11(4)19-15/h6-7,9H,1-5H3/t9-/m1/s1
InChIKeyXDRGEDBOUQUBNB-SECBINFHSA-N
MW340.85 g/mol
LogP4.69
Rot. Bonds3

About 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide

2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide (PubChem CID 97155572) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
PubChem CID97155572
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC Name2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide
SMILESCc1nc([C@@H](C)N(C)C(=O)c2c(F)ccc(C)c2Cl)c(C)s1
InChIInChI=1S/C16H18ClFN2OS/c1-8-6-7-12(18)13(14(8)17)16(21)20(5)9(2)15-10(3)22-11(4)19-15/h6-7,9H,1-5H3/t9-/m1/s1
InChIKeyXDRGEDBOUQUBNB-SECBINFHSA-N
XLogP4.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide with MolForge

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Related Compounds

5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
4-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 126425178
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
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N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-8-fluoro-N-methylquinoline-2-carboxamide
CID 70722846
3-(4-chloropyrazol-1-yl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
CID 118766185
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 97112213
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 70788438
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 97204849
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97208137
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 96580245
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 95714793
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide (CID 97155572) is 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide is Cc1nc([C@@H](C)N(C)C(=O)c2c(F)ccc(C)c2Cl)c(C)s1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide?
The InChIKey is XDRGEDBOUQUBNB-SECBINFHSA-N. The full InChI is InChI=1S/C16H18ClFN2OS/c1-8-6-7-12(18)13(14(8)17)16(21)20(5)9(2)15-10(3)22-11(4)19-15/h6-7,9H,1-5H3/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide?
2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide has a molecular weight of 340.85 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 97155572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).