N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C14H18Cl2FN3OS — CID 119524567

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1csc(-c2ccccc2F)n1.Cl.Cl
InChIInChI=1S/C14H16FN3OS.2ClH/c1-14(2,8-16)18-12(19)11-7-20-13(17-11)9-5-3-4-6-10(9)15;;/h3-7H,8,16H2,1-2H3,(H,18,19);2*1H
InChIKeyPPEAOSAGMGHROW-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.26
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119524567) has the molecular formula C14H18Cl2FN3OS and a molecular weight of 366.29 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119524567
Molecular FormulaC14H18Cl2FN3OS
Molecular Weight366.29 g/mol
Exact Mass365.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)c1csc(-c2ccccc2F)n1.Cl.Cl
InChIInChI=1S/C14H16FN3OS.2ClH/c1-14(2,8-16)18-12(19)11-7-20-13(17-11)9-5-3-4-6-10(9)15;;/h3-7H,8,16H2,1-2H3,(H,18,19);2*1H
InChIKeyPPEAOSAGMGHROW-UHFFFAOYSA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 119522621
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-(1-amino-2-methylpropan-2-yl)-2-(4-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119523625
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134
N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119656374
N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119567922
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119617053
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119524567) is N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)(CN)NC(=O)c1csc(-c2ccccc2F)n1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is PPEAOSAGMGHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS.2ClH/c1-14(2,8-16)18-12(19)11-7-20-13(17-11)9-5-3-4-6-10(9)15;;/h3-7H,8,16H2,1-2H3,(H,18,19);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 366.29 g/mol, XLogP of 3.26, 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-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119524567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).