N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C15H17FN2OS — CID 110676745

IUPACN-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1nc(C)sc1-c1ccccc1F
InChIInChI=1S/C15H17FN2OS/c1-4-9(2)17-15(19)13-14(20-10(3)18-13)11-7-5-6-8-12(11)16/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyWJJJLQOKKVCCOT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.79
Rot. Bonds4

About N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110676745) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID110676745
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1nc(C)sc1-c1ccccc1F
InChIInChI=1S/C15H17FN2OS/c1-4-9(2)17-15(19)13-14(20-10(3)18-13)11-7-5-6-8-12(11)16/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyWJJJLQOKKVCCOT-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110676773
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
N-butan-2-yl-1-(2-fluorophenyl)isoquinoline-3-carboxamide
CID 15740682
5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
CID 142184130
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
N-butan-2-yl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712817
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
CID 97079223
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 110676745) is N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1nc(C)sc1-c1ccccc1F.
What is the InChIKey of N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WJJJLQOKKVCCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-4-9(2)17-15(19)13-14(20-10(3)18-13)11-7-5-6-8-12(11)16/h5-9H,4H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110676745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).