1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride

C16H27Cl2N3OS — CID 119884799

IUPAC1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C16H25N3OS.2ClH/c1-19(15(20)16(17)9-5-2-6-10-16)11-14-18-12-7-3-4-8-13(12)21-14;;/h2-11,17H2,1H3;2*1H
InChIKeyHZMCSRRLZDFYGF-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.49
Rot. Bonds3

About 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119884799) has the molecular formula C16H27Cl2N3OS and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119884799
Molecular FormulaC16H27Cl2N3OS
Molecular Weight380.39 g/mol
Exact Mass379.13
IUPAC Name1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C16H25N3OS.2ClH/c1-19(15(20)16(17)9-5-2-6-10-16)11-14-18-12-7-3-4-8-13(12)21-14;;/h2-11,17H2,1H3;2*1H
InChIKeyHZMCSRRLZDFYGF-UHFFFAOYSA-N
XLogP3.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119884799) is 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride is CN(Cc1nc2c(s1)CCCC2)C(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is HZMCSRRLZDFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS.2ClH/c1-19(15(20)16(17)9-5-2-6-10-16)11-14-18-12-7-3-4-8-13(12)21-14;;/h2-11,17H2,1H3;2*1H.
What are the key properties of 1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 380.39 g/mol, XLogP of 3.49, 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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119884799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).