2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C15H24N2OS — CID 64977536

IUPAC2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC1CCC(N(C)c2nc3c(s2)CCCC3O)CC1
InChIInChI=1S/C15H24N2OS/c1-10-6-8-11(9-7-10)17(2)15-16-14-12(18)4-3-5-13(14)19-15/h10-12,18H,3-9H2,1-2H3
InChIKeyAACGOADJIGVWBL-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.53
Rot. Bonds2

About 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64977536) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64977536
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC1CCC(N(C)c2nc3c(s2)CCCC3O)CC1
InChIInChI=1S/C15H24N2OS/c1-10-6-8-11(9-7-10)17(2)15-16-14-12(18)4-3-5-13(14)19-15/h10-12,18H,3-9H2,1-2H3
InChIKeyAACGOADJIGVWBL-UHFFFAOYSA-N
XLogP3.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977574
2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977396
2-(N,3-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977519
2-[methyl(3-methylsulfanylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 114238457
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 105418304
2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 102998001
2-(N-butylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64978118
2-N-(4-ethylcyclohexyl)-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977177
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977963
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79494106
2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62754174
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976468

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64977536) is 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CC1CCC(N(C)c2nc3c(s2)CCCC3O)CC1.
What is the InChIKey of 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is AACGOADJIGVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-6-8-11(9-7-10)17(2)15-16-14-12(18)4-3-5-13(14)19-15/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 280.44 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).