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

C12H11FN2OS — CID 47443309

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN2OS/c1-8-15-11(7-17-8)12(16)14-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyWQLWLLGHNIQMKF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 47443309) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID47443309
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C12H11FN2OS/c1-8-15-11(7-17-8)12(16)14-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyWQLWLLGHNIQMKF-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

N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4680245
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 5176726
2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46114059
2-[[bis[(4-fluorophenyl)methyl]amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1032482
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474112
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 131919805
N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003156

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 47443309) is N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WQLWLLGHNIQMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-15-11(7-17-8)12(16)14-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-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-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47443309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).