3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride

C16H28Cl2N4OS — CID 119830465

IUPAC3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)Nc2nc(CN3CCCCC3)cs2)C1
InChIInChI=1S/C16H26N4OS.2ClH/c17-13-6-4-5-12(9-13)15(21)19-16-18-14(11-22-16)10-20-7-2-1-3-8-20;;/h11-13H,1-10,17H2,(H,18,19,21);2*1H
InChIKeyBZDHIJSYNLIXNN-UHFFFAOYSA-N
MW395.40 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119830465) has the molecular formula C16H28Cl2N4OS and a molecular weight of 395.40 g/mol. Its IUPAC name is 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119830465
Molecular FormulaC16H28Cl2N4OS
Molecular Weight395.40 g/mol
Exact Mass394.14
IUPAC Name3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)Nc2nc(CN3CCCCC3)cs2)C1
InChIInChI=1S/C16H26N4OS.2ClH/c17-13-6-4-5-12(9-13)15(21)19-16-18-14(11-22-16)10-20-7-2-1-3-8-20;;/h11-13H,1-10,17H2,(H,18,19,21);2*1H
InChIKeyBZDHIJSYNLIXNN-UHFFFAOYSA-N
XLogP3.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119831162
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
benzyl N-[(1R,3R)-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl]carbamate
CID 99783567
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 120606542
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 46699176
3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119785268
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 28803745

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119830465) is 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)Nc2nc(CN3CCCCC3)cs2)C1.
What is the InChIKey of 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is BZDHIJSYNLIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS.2ClH/c17-13-6-4-5-12(9-13)15(21)19-16-18-14(11-22-16)10-20-7-2-1-3-8-20;;/h11-13H,1-10,17H2,(H,18,19,21);2*1H.
What are the key properties of 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 395.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119830465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).