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

C11H10FN3OS — CID 18072743

IUPACN-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C11H10FN3OS/c1-6-10(17-5-14-6)11(16)15-7-2-3-8(12)9(13)4-7/h2-5H,13H2,1H3,(H,15,16)
InChIKeyBXZABIWPMANPDE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.43
Rot. Bonds2

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

N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 18072743) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID18072743
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C11H10FN3OS/c1-6-10(17-5-14-6)11(16)15-7-2-3-8(12)9(13)4-7/h2-5H,13H2,1H3,(H,15,16)
InChIKeyBXZABIWPMANPDE-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(3-amino-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63062084
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 65437435
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
(E)-3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 43654539

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 18072743) is N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BXZABIWPMANPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-6-10(17-5-14-6)11(16)15-7-2-3-8(12)9(13)4-7/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18072743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).