[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol

C16H23N3OS — CID 62552477

IUPAC[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol
SMILESCc1nc2cc(NC3(CO)CCC(C)CC3)c(N)cc2s1
InChIInChI=1S/C16H23N3OS/c1-10-3-5-16(9-20,6-4-10)19-13-8-14-15(7-12(13)17)21-11(2)18-14/h7-8,10,19-20H,3-6,9,17H2,1-2H3
InChIKeyGDEDLKSCAYTEEQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.54
Rot. Bonds3

About [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol

[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol (PubChem CID 62552477) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol
PubChem CID62552477
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol
SMILESCc1nc2cc(NC3(CO)CCC(C)CC3)c(N)cc2s1
InChIInChI=1S/C16H23N3OS/c1-10-3-5-16(9-20,6-4-10)19-13-8-14-15(7-12(13)17)21-11(2)18-14/h7-8,10,19-20H,3-6,9,17H2,1-2H3
InChIKeyGDEDLKSCAYTEEQ-UHFFFAOYSA-N
XLogP3.54
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol (CID 62552477) is [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol is Cc1nc2cc(NC3(CO)CCC(C)CC3)c(N)cc2s1.
What is the InChIKey of [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is GDEDLKSCAYTEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10-3-5-16(9-20,6-4-10)19-13-8-14-15(7-12(13)17)21-11(2)18-14/h7-8,10,19-20H,3-6,9,17H2,1-2H3.
What are the key properties of [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol?
[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 305.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62552477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).