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

C15H20N2OS2 — CID 79494106

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC(Cc1cccs1)N(C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C15H20N2OS2/c1-10(9-11-5-4-8-19-11)17(2)15-16-14-12(18)6-3-7-13(14)20-15/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3
InChIKeyBZWYAOUVLZLZNA-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.64
Rot. Bonds4

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

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 79494106) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID79494106
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC(Cc1cccs1)N(C)c1nc2c(s1)CCCC2O
InChIInChI=1S/C15H20N2OS2/c1-10(9-11-5-4-8-19-11)17(2)15-16-14-12(18)6-3-7-13(14)20-15/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3
InChIKeyBZWYAOUVLZLZNA-UHFFFAOYSA-N
XLogP3.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977396
2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977574
2-[furan-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977445
2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62752460
5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79494190
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870
methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80570582
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 102998001
2-[methyl(3-methylsulfanylpropyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 114238457
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977963
2-chloro-1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392242

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 79494106) is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CC(Cc1cccs1)N(C)c1nc2c(s1)CCCC2O.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is BZWYAOUVLZLZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-10(9-11-5-4-8-19-11)17(2)15-16-14-12(18)6-3-7-13(14)20-15/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 308.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 79494106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).