N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H13F2N3OS2 — CID 55907163

IUPACN-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)c1c(F)cc(NC(=O)c2csc(-c3cccs3)n2)cc1F
InChIInChI=1S/C16H13F2N3OS2/c1-21(2)14-10(17)6-9(7-11(14)18)19-15(22)12-8-24-16(20-12)13-4-3-5-23-13/h3-8H,1-2H3,(H,19,22)
InChIKeyNQMGPCXQDRFUSV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.47
Rot. Bonds4

About N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55907163) has the molecular formula C16H13F2N3OS2 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55907163
Molecular FormulaC16H13F2N3OS2
Molecular Weight365.43 g/mol
Exact Mass365.05
IUPAC NameN-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)c1c(F)cc(NC(=O)c2csc(-c3cccs3)n2)cc1F
InChIInChI=1S/C16H13F2N3OS2/c1-21(2)14-10(17)6-9(7-11(14)18)19-15(22)12-8-24-16(20-12)13-4-3-5-23-13/h3-8H,1-2H3,(H,19,22)
InChIKeyNQMGPCXQDRFUSV-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523899
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 55907163) is N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN(C)c1c(F)cc(NC(=O)c2csc(-c3cccs3)n2)cc1F.
What is the InChIKey of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NQMGPCXQDRFUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS2/c1-21(2)14-10(17)6-9(7-11(14)18)19-15(22)12-8-24-16(20-12)13-4-3-5-23-13/h3-8H,1-2H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55907163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).