N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide

C16H20FN3OS — CID 119656374

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H20FN3OS/c1-16(2,9-18)10-20(3)15(21)13-8-22-14(19-13)11-6-4-5-7-12(11)17/h4-8H,9-10,18H2,1-3H3
InChIKeyLAFXBVLGTODFGK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.01
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 119656374) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID119656374
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C16H20FN3OS/c1-16(2,9-18)10-20(3)15(21)13-8-22-14(19-13)11-6-4-5-7-12(11)17/h4-8H,9-10,18H2,1-3H3
InChIKeyLAFXBVLGTODFGK-UHFFFAOYSA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119655809
N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119524567
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119655240
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56512666
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoxaline-2-carboxamide
CID 103807675
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 95977103
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 119656374) is N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LAFXBVLGTODFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-16(2,9-18)10-20(3)15(21)13-8-22-14(19-13)11-6-4-5-7-12(11)17/h4-8H,9-10,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119656374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).