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

C11H12ClN3OS — CID 80692496

IUPAC[4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(Cc1cccnc1)c1nc(Cl)c(CO)s1
InChIInChI=1S/C11H12ClN3OS/c1-15(6-8-3-2-4-13-5-8)11-14-10(12)9(7-16)17-11/h2-5,16H,6-7H2,1H3
InChIKeyDPZMWCSAYQFIOM-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.32
Rot. Bonds4

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

[4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80692496) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80692496
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name[4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(Cc1cccnc1)c1nc(Cl)c(CO)s1
InChIInChI=1S/C11H12ClN3OS/c1-15(6-8-3-2-4-13-5-8)11-14-10(12)9(7-16)17-11/h2-5,16H,6-7H2,1H3
InChIKeyDPZMWCSAYQFIOM-UHFFFAOYSA-N
XLogP2.32
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol (CID 80692496) is [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol is CN(Cc1cccnc1)c1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is DPZMWCSAYQFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-15(6-8-3-2-4-13-5-8)11-14-10(12)9(7-16)17-11/h2-5,16H,6-7H2,1H3.
What are the key properties of [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 269.76 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).