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

C14H17N3OS — CID 64977482

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCN(Cc1ccccn1)c1nc2c(s1)CCCC2O
InChIInChI=1S/C14H17N3OS/c1-17(9-10-5-2-3-8-15-10)14-16-13-11(18)6-4-7-12(13)19-14/h2-3,5,8,11,18H,4,6-7,9H2,1H3
InChIKeyGWZARLGVZBLXIJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.54
Rot. Bonds3

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

2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64977482) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64977482
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCN(Cc1ccccn1)c1nc2c(s1)CCCC2O
InChIInChI=1S/C14H17N3OS/c1-17(9-10-5-2-3-8-15-10)14-16-13-11(18)6-4-7-12(13)19-14/h2-3,5,8,11,18H,4,6-7,9H2,1H3
InChIKeyGWZARLGVZBLXIJ-UHFFFAOYSA-N
XLogP2.54
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977574
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977963
2-(N,3-dimethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977519
2-[methyl-(4-methylcyclohexyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977536
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
2-N-[(2-chlorophenyl)methyl]-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977143
2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 171329025
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64977482) is 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CN(Cc1ccccn1)c1nc2c(s1)CCCC2O.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is GWZARLGVZBLXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(9-10-5-2-3-8-15-10)14-16-13-11(18)6-4-7-12(13)19-14/h2-3,5,8,11,18H,4,6-7,9H2,1H3.
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 275.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64977482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).