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

C13H16N2OS2 — CID 62752460

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(Cc1cccs1)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C13H16N2OS2/c1-15(8-9-4-3-7-17-9)13-14-10-5-2-6-11(16)12(10)18-13/h3-4,7,11,16H,2,5-6,8H2,1H3
InChIKeyYUUHTKCCKPERQY-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.21
Rot. Bonds3

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

2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62752460) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62752460
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(Cc1cccs1)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C13H16N2OS2/c1-15(8-9-4-3-7-17-9)13-14-10-5-2-6-11(16)12(10)18-13/h3-4,7,11,16H,2,5-6,8H2,1H3
InChIKeyYUUHTKCCKPERQY-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N,4-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753871
2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753529
2-N,7-N-dimethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750777
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79494106
2-N-benzyl-7-N-ethyl-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751254
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-[furan-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977445
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 55174185
4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62766762
7-N-ethyl-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754763
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116775215

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62752460) is 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CN(Cc1cccs1)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is YUUHTKCCKPERQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-15(8-9-4-3-7-17-9)13-14-10-5-2-6-11(16)12(10)18-13/h3-4,7,11,16H,2,5-6,8H2,1H3.
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 280.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).