N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119614140

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(C)c(C(=O)NC(CN)C2CC2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-6-10(16-7(2)13-6)11(15)14-9(5-12)8-3-4-8;;/h8-9H,3-5,12H2,1-2H3,(H,14,15);2*1H
InChIKeyISHWWDQNZAGJRW-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.07
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119614140) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119614140
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(C)c(C(=O)NC(CN)C2CC2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-6-10(16-7(2)13-6)11(15)14-9(5-12)8-3-4-8;;/h8-9H,3-5,12H2,1-2H3,(H,14,15);2*1H
InChIKeyISHWWDQNZAGJRW-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103807307
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119592066
(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 112734821
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
N-(2-amino-1-cyclopropylethyl)-4-methylthiophene-3-carboxamide;hydrochloride
CID 119613848
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119588404
N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111426342
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119614140) is N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(C)c(C(=O)NC(CN)C2CC2)s1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is ISHWWDQNZAGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-6-10(16-7(2)13-6)11(15)14-9(5-12)8-3-4-8;;/h8-9H,3-5,12H2,1-2H3,(H,14,15);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.07, 4 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)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119614140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).