4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol

C14H18N2OS — CID 116969164

IUPAC4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2nc(-c3cc[nH]c3)cs2)CC1
InChIInChI=1S/C14H18N2OS/c17-12-3-1-10(2-4-12)7-14-16-13(9-18-14)11-5-6-15-8-11/h5-6,8-10,12,15,17H,1-4,7H2
InChIKeyXKSLPXUUIGIIKH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.23
Rot. Bonds3

About 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol

4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol (PubChem CID 116969164) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol
PubChem CID116969164
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol
SMILESOC1CCC(Cc2nc(-c3cc[nH]c3)cs2)CC1
InChIInChI=1S/C14H18N2OS/c17-12-3-1-10(2-4-12)7-14-16-13(9-18-14)11-5-6-15-8-11/h5-6,8-10,12,15,17H,1-4,7H2
InChIKeyXKSLPXUUIGIIKH-UHFFFAOYSA-N
XLogP3.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol (CID 116969164) is 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol is OC1CCC(Cc2nc(-c3cc[nH]c3)cs2)CC1.
What is the InChIKey of 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol?
The InChIKey is XKSLPXUUIGIIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-12-3-1-10(2-4-12)7-14-16-13(9-18-14)11-5-6-15-8-11/h5-6,8-10,12,15,17H,1-4,7H2.
What are the key properties of 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol?
4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 116969164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).