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

C14H23ClN2OS — CID 80692510

IUPAC[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)C1CCCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C14H23ClN2OS/c1-14(2,3)10-5-4-7-17(8-6-10)13-16-12(15)11(9-18)19-13/h10,18H,4-9H2,1-3H3
InChIKeyCRRQHUXOYBRFLL-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.94
Rot. Bonds2

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

[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80692510) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80692510
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)C1CCCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C14H23ClN2OS/c1-14(2,3)10-5-4-7-17(8-6-10)13-16-12(15)11(9-18)19-13/h10,18H,4-9H2,1-3H3
InChIKeyCRRQHUXOYBRFLL-UHFFFAOYSA-N
XLogP3.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol (CID 80692510) is [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol is CC(C)(C)C1CCCN(c2nc(Cl)c(CO)s2)CC1.
What is the InChIKey of [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is CRRQHUXOYBRFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-14(2,3)10-5-4-7-17(8-6-10)13-16-12(15)11(9-18)19-13/h10,18H,4-9H2,1-3H3.
What are the key properties of [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 302.87 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).