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

C16H12F2N2OS2 — CID 134046643

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H12F2N2OS2/c1-20(8-10-4-5-11(17)7-12(10)18)16(21)13-9-23-15(19-13)14-3-2-6-22-14/h2-7,9H,8H2,1H3
InChIKeyDWQGIWCVPBFWDY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.42
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 134046643) has the molecular formula C16H12F2N2OS2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID134046643
Molecular FormulaC16H12F2N2OS2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H12F2N2OS2/c1-20(8-10-4-5-11(17)7-12(10)18)16(21)13-9-23-15(19-13)14-3-2-6-22-14/h2-7,9H,8H2,1H3
InChIKeyDWQGIWCVPBFWDY-UHFFFAOYSA-N
XLogP4.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.42
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-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46564945
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61040897
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27793502
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 134046643) is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DWQGIWCVPBFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS2/c1-20(8-10-4-5-11(17)7-12(10)18)16(21)13-9-23-15(19-13)14-3-2-6-22-14/h2-7,9H,8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134046643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).