N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C14H15F2N3OS — CID 119522621

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CN)NC(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H15F2N3OS/c1-14(2,7-17)19-12(20)10-6-21-13(18-10)11-8(15)4-3-5-9(11)16/h3-6H,7,17H2,1-2H3,(H,19,20)
InChIKeyBCTJADQPSBSFOY-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.56
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119522621) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID119522621
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CN)NC(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H15F2N3OS/c1-14(2,7-17)19-12(20)10-6-21-13(18-10)11-8(15)4-3-5-9(11)16/h3-6H,7,17H2,1-2H3,(H,19,20)
InChIKeyBCTJADQPSBSFOY-UHFFFAOYSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119524567
N-(1-amino-2-methylpropan-2-yl)-2-(4-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119523625
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 167959605
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110000611
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542794

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 119522621) is N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is CC(C)(CN)NC(=O)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BCTJADQPSBSFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-14(2,7-17)19-12(20)10-6-21-13(18-10)11-8(15)4-3-5-9(11)16/h3-6H,7,17H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119522621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).