N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119479154

IUPACN-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NC2CCC(N)CC2)s1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-2-3-12-15-8-11(18-12)13(17)16-10-6-4-9(14)5-7-10;;/h8-10H,2-7,14H2,1H3,(H,16,17);2*1H
InChIKeyWNKXLYDZVKDNIY-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.94
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119479154) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119479154
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC NameN-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NC2CCC(N)CC2)s1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-2-3-12-15-8-11(18-12)13(17)16-10-6-4-9(14)5-7-10;;/h8-10H,2-7,14H2,1H3,(H,16,17);2*1H
InChIKeyWNKXLYDZVKDNIY-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 119459660
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119576047
2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 67019715
N-(4-aminocyclohexyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119477790
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 130505258

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119479154) is N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is CCCc1ncc(C(=O)NC2CCC(N)CC2)s1.Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is WNKXLYDZVKDNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-2-3-12-15-8-11(18-12)13(17)16-10-6-4-9(14)5-7-10;;/h8-10H,2-7,14H2,1H3,(H,16,17);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119479154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).