N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide

C12H11FN2OS — CID 110851153

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)NCc1ccccc1F
InChIInChI=1S/C12H11FN2OS/c1-8-11(15-7-17-8)12(16)14-6-9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyPSQDVILMUVASHF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110851153) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID110851153
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)NCc1ccccc1F
InChIInChI=1S/C12H11FN2OS/c1-8-11(15-7-17-8)12(16)14-6-9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyPSQDVILMUVASHF-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110850663
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
N-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798388
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 110851153) is N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PSQDVILMUVASHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-11(15-7-17-8)12(16)14-6-9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110851153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).