N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119477267

IUPACN-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)NC2CCC(N)CC2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-8(2)13-16-11(7-18-13)12(17)15-10-5-3-9(14)4-6-10;;/h7-10H,3-6,14H2,1-2H3,(H,15,17);2*1H
InChIKeyGYXUVTBDNNBYNC-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.11
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119477267) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119477267
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC NameN-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)NC2CCC(N)CC2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-8(2)13-16-11(7-18-13)12(17)15-10-5-3-9(14)4-6-10;;/h7-10H,3-6,14H2,1-2H3,(H,15,17);2*1H
InChIKeyGYXUVTBDNNBYNC-UHFFFAOYSA-N
XLogP3.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 70745109
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663
N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119477818
2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389960
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119477819
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119590933
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
N-(4-aminocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119476191
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-(1-aminoethyl)-N-(2-oxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 3855660

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119477267) is N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)c1nc(C(=O)NC2CCC(N)CC2)cs1.Cl.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is GYXUVTBDNNBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-8(2)13-16-11(7-18-13)12(17)15-10-5-3-9(14)4-6-10;;/h7-10H,3-6,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119477267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).