N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119576047

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NC(C)(CN)C2CC2)s1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-4-11-15-7-10(18-11)12(17)16-13(2,8-14)9-5-6-9;;/h7,9H,3-6,8,14H2,1-2H3,(H,16,17);2*1H
InChIKeyXKRAEQCYSHBASG-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.80
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119576047) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119576047
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NC(C)(CN)C2CC2)s1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-4-11-15-7-10(18-11)12(17)16-13(2,8-14)9-5-6-9;;/h7,9H,3-6,8,14H2,1-2H3,(H,16,17);2*1H
InChIKeyXKRAEQCYSHBASG-UHFFFAOYSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119600390
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CID 119479154
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 119575653
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119574938
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119573224
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119575026
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 113283485
N-(1-amino-2-cyclopropylpropan-2-yl)quinoxaline-2-carboxamide;dihydrochloride
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N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119576047) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is CCCc1ncc(C(=O)NC(C)(CN)C2CC2)s1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is XKRAEQCYSHBASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-3-4-11-15-7-10(18-11)12(17)16-13(2,8-14)9-5-6-9;;/h7,9H,3-6,8,14H2,1-2H3,(H,16,17);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119576047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).