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

C11H21Cl2N3OS — CID 119499749

IUPACN-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NCCC(C)N)s1.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-3-4-10-14-7-9(16-10)11(15)13-6-5-8(2)12;;/h7-8H,3-6,12H2,1-2H3,(H,13,15);2*1H
InChIKeyHZHAYXHCNJWWMB-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.41
Rot. Bonds6

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

N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119499749) has the molecular formula C11H21Cl2N3OS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119499749
Molecular FormulaC11H21Cl2N3OS
Molecular Weight314.28 g/mol
Exact Mass313.08
IUPAC NameN-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NCCC(C)N)s1.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-3-4-10-14-7-9(16-10)11(15)13-6-5-8(2)12;;/h7-8H,3-6,12H2,1-2H3,(H,13,15);2*1H
InChIKeyHZHAYXHCNJWWMB-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119495185
(2S)-3-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119359365
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119600390
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
2-[[(2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244787
N-[2-(1-hydroxyethyl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 75498535

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119499749) is N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is CCCc1ncc(C(=O)NCCC(C)N)s1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is HZHAYXHCNJWWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.2ClH/c1-3-4-10-14-7-9(16-10)11(15)13-6-5-8(2)12;;/h7-8H,3-6,12H2,1-2H3,(H,13,15);2*1H.
What are the key properties of N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 314.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119499749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).