N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C12H11FN2OS — CID 63048529

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cscn1
InChIInChI=1S/C12H11FN2OS/c1-15(12(16)11-7-17-8-14-11)6-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3
InChIKeyLHTGORHRDOCVRK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.55
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 63048529) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID63048529
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cscn1
InChIInChI=1S/C12H11FN2OS/c1-15(12(16)11-7-17-8-14-11)6-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3
InChIKeyLHTGORHRDOCVRK-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049964
N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63050087
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-[2-[methyl(1,3-thiazole-4-carbonyl)amino]ethyl]benzoic acid
CID 104547074
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 63049772
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107375107
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 63048529) is N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1F)C(=O)c1cscn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LHTGORHRDOCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-15(12(16)11-7-17-8-14-11)6-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).