[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol

C13H21ClN2OS — CID 80692314

IUPAC[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCCC1CCCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C13H21ClN2OS/c1-2-4-10-5-3-7-16(8-6-10)13-15-12(14)11(9-17)18-13/h10,17H,2-9H2,1H3
InChIKeyGMOQJRJRUYEXDH-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.70
Rot. Bonds4

About [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80692314) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80692314
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCCC1CCCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C13H21ClN2OS/c1-2-4-10-5-3-7-16(8-6-10)13-15-12(14)11(9-17)18-13/h10,17H,2-9H2,1H3
InChIKeyGMOQJRJRUYEXDH-UHFFFAOYSA-N
XLogP3.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol (CID 80692314) is [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol is CCCC1CCCN(c2nc(Cl)c(CO)s2)CC1.
What is the InChIKey of [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is GMOQJRJRUYEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-2-4-10-5-3-7-16(8-6-10)13-15-12(14)11(9-17)18-13/h10,17H,2-9H2,1H3.
What are the key properties of [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 288.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).