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

C13H23Cl2N3OS — CID 119841638

IUPAC1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1nc(CN(C)C(=O)C2(N)CCCCC2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-10-15-11(9-18-10)8-16(2)12(17)13(14)6-4-3-5-7-13;;/h9H,3-8,14H2,1-2H3;2*1H
InChIKeyUEWZVMIRHDWGJR-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.92
Rot. Bonds3

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

1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119841638) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119841638
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC Name1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1nc(CN(C)C(=O)C2(N)CCCCC2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-10-15-11(9-18-10)8-16(2)12(17)13(14)6-4-3-5-7-13;;/h9H,3-8,14H2,1-2H3;2*1H
InChIKeyUEWZVMIRHDWGJR-UHFFFAOYSA-N
XLogP2.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
1-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 81178859
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 99989815
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
1-[[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 109425226
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
(2R)-4-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107827210
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119841638) is 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride is Cc1nc(CN(C)C(=O)C2(N)CCCCC2)cs1.Cl.Cl.
What is the InChIKey of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is UEWZVMIRHDWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-10-15-11(9-18-10)8-16(2)12(17)13(14)6-4-3-5-7-13;;/h9H,3-8,14H2,1-2H3;2*1H.
What are the key properties of 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119841638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).