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

C11H9FN2OS — CID 110858632

IUPACN-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H9FN2OS/c1-7-10(13-6-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyKEKRNVDYBWJMQT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.84
Rot. Bonds2

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

N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110858632) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID110858632
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC NameN-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H9FN2OS/c1-7-10(13-6-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyKEKRNVDYBWJMQT-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110857431
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166326972
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
N-(4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)pyridine-3-carboxamide
CID 110131656
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
N-[(2-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 110851153
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 166259528
N-[4-[3-(1,1-difluorobut-3-enyl)-1-methylpyrazol-5-yl]-3-fluorophenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 123490313

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 110858632) is N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KEKRNVDYBWJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-7-10(13-6-16-7)11(15)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110858632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).