N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide

C16H19N3OS — CID 119616438

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)NC(CN)C2CC2)cs1
InChIInChI=1S/C16H19N3OS/c1-10-4-2-3-5-12(10)16-19-14(9-21-16)15(20)18-13(8-17)11-6-7-11/h2-5,9,11,13H,6-8,17H2,1H3,(H,18,20)
InChIKeyIERHIDPXUSNUPN-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.59
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119616438) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119616438
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)NC(CN)C2CC2)cs1
InChIInChI=1S/C16H19N3OS/c1-10-4-2-3-5-12(10)16-19-14(9-21-16)15(20)18-13(8-17)11-6-7-11/h2-5,9,11,13H,6-8,17H2,1H3,(H,18,20)
InChIKeyIERHIDPXUSNUPN-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119617053
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119616726
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119617299
3-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 71240060
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119590933
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 119616438) is N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccccc1-c1nc(C(=O)NC(CN)C2CC2)cs1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IERHIDPXUSNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-4-2-3-5-12(10)16-19-14(9-21-16)15(20)18-13(8-17)11-6-7-11/h2-5,9,11,13H,6-8,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119616438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).