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

C12H20N2OS — CID 64977396

IUPAC2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC(C)CN(C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C12H20N2OS/c1-8(2)7-14(3)12-13-11-9(15)5-4-6-10(11)16-12/h8-9,15H,4-7H2,1-3H3
InChIKeyDWELYDNTSGKDFX-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.61
Rot. Bonds3

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

2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64977396) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64977396
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC(C)CN(C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C12H20N2OS/c1-8(2)7-14(3)12-13-11-9(15)5-4-6-10(11)16-12/h8-9,15H,4-7H2,1-3H3
InChIKeyDWELYDNTSGKDFX-UHFFFAOYSA-N
XLogP2.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977574
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-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977536
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977963
2-[furan-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977445
2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977482
2-[(3-bromophenyl)methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977464
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79494106
2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977023
2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 102998001
2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976404

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64977396) is 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CC(C)CN(C)c1nc2c(s1)CCCC2O.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is DWELYDNTSGKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)7-14(3)12-13-11-9(15)5-4-6-10(11)16-12/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 240.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64977396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).