[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol

C15H16N4OS — CID 82221204

IUPAC[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1c(CO)nnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H16N4OS/c1-10(2)14-12(8-20)17-18-19(14)15-16-13(9-21-15)11-6-4-3-5-7-11/h3-7,9-10,20H,8H2,1-2H3
InChIKeyKCJPCCRSOAFOCJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.01
Rot. Bonds4

About [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol

[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 82221204) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID82221204
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1c(CO)nnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H16N4OS/c1-10(2)14-12(8-20)17-18-19(14)15-16-13(9-21-15)11-6-4-3-5-7-11/h3-7,9-10,20H,8H2,1-2H3
InChIKeyKCJPCCRSOAFOCJ-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylpropyl)-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 94962680
[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221219
[5-cyclobutyl-1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962689
5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82221199
1-(4-phenyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbaldehyde
CID 82221203
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 42725524
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
1-[1-(4-methyl-1,3-thiazol-2-yl)-5-phenyltriazol-4-yl]ethanone
CID 82221169

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol (CID 82221204) is [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol is CC(C)c1c(CO)nnn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is KCJPCCRSOAFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10(2)14-12(8-20)17-18-19(14)15-16-13(9-21-15)11-6-4-3-5-7-11/h3-7,9-10,20H,8H2,1-2H3.
What are the key properties of [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol?
[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 300.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82221204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).