N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C14H29Cl2N3OS — CID 119861113

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)C2CSCN2)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C14H27N3OS.2ClH/c1-11-5-4-6-14(7-11,17(2)3)9-15-13(18)12-8-19-10-16-12;;/h11-12,16H,4-10H2,1-3H3,(H,15,18);2*1H
InChIKeyQWKYFBVQXFAUGL-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.12
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119861113) has the molecular formula C14H29Cl2N3OS and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119861113
Molecular FormulaC14H29Cl2N3OS
Molecular Weight358.38 g/mol
Exact Mass357.14
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)C2CSCN2)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C14H27N3OS.2ClH/c1-11-5-4-6-14(7-11,17(2)3)9-15-13(18)12-8-19-10-16-12;;/h11-12,16H,4-10H2,1-3H3,(H,15,18);2*1H
InChIKeyQWKYFBVQXFAUGL-UHFFFAOYSA-N
XLogP2.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 63045578
(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798867
(2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119682228
1-cyclopropyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2-hydroxyethyl)urea
CID 110902753
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946772

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119861113) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CC1CCCC(CNC(=O)C2CSCN2)(N(C)C)C1.Cl.Cl.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is QWKYFBVQXFAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS.2ClH/c1-11-5-4-6-14(7-11,17(2)3)9-15-13(18)12-8-19-10-16-12;;/h11-12,16H,4-10H2,1-3H3,(H,15,18);2*1H.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 358.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119861113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).