1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol

C13H17N3OS — CID 55112508

IUPAC1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccccn2)sc1C(C)O
InChIInChI=1S/C13H17N3OS/c1-9-12(10(2)17)18-13(15-9)16(3)8-11-6-4-5-7-14-11/h4-7,10,17H,8H2,1-3H3
InChIKeyVUUGQDMCOKXWHK-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.54
Rot. Bonds4

About 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55112508) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID55112508
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)Cc2ccccn2)sc1C(C)O
InChIInChI=1S/C13H17N3OS/c1-9-12(10(2)17)18-13(15-9)16(3)8-11-6-4-5-7-14-11/h4-7,10,17H,8H2,1-3H3
InChIKeyVUUGQDMCOKXWHK-UHFFFAOYSA-N
XLogP2.54
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752452
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753842
1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754901
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol
CID 67759661
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
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 171329025
4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
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 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 55112508) is 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)Cc2ccccn2)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is VUUGQDMCOKXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-12(10(2)17)18-13(15-9)16(3)8-11-6-4-5-7-14-11/h4-7,10,17H,8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 263.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).