N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C16H12ClFN2OS2 — CID 18090221

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H12ClFN2OS2/c1-20(7-11-12(17)3-2-4-13(11)18)16(21)14-9-23-15(19-14)10-5-6-22-8-10/h2-6,8-9H,7H2,1H3
InChIKeyYSADALBCVWKNGU-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.94
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 18090221) has the molecular formula C16H12ClFN2OS2 and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID18090221
Molecular FormulaC16H12ClFN2OS2
Molecular Weight366.87 g/mol
Exact Mass366.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C16H12ClFN2OS2/c1-20(7-11-12(17)3-2-4-13(11)18)16(21)14-9-23-15(19-14)10-5-6-22-8-10/h2-6,8-9H,7H2,1H3
InChIKeyYSADALBCVWKNGU-UHFFFAOYSA-N
XLogP4.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38226165
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18112198
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8530363
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
6-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 16605035
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 4878432

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 18090221) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YSADALBCVWKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS2/c1-20(7-11-12(17)3-2-4-13(11)18)16(21)14-9-23-15(19-14)10-5-6-22-8-10/h2-6,8-9H,7H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18090221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).