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

C14H16FN3OS — CID 62787338

IUPAC2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1csc(N)n1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-8(2)12(9-3-5-10(15)6-4-9)18-13(19)11-7-20-14(16)17-11/h3-8,12H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyHNFZBVMKJWCKBV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.99
Rot. Bonds4

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

2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787338) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID62787338
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C(NC(=O)c1csc(N)n1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-8(2)12(9-3-5-10(15)6-4-9)18-13(19)11-7-20-14(16)17-11/h3-8,12H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyHNFZBVMKJWCKBV-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18229378
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 104741224
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (CID 62787338) is 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is CC(C)C(NC(=O)c1csc(N)n1)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HNFZBVMKJWCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-8(2)12(9-3-5-10(15)6-4-9)18-13(19)11-7-20-14(16)17-11/h3-8,12H,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).