[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol

C15H17N5OS — CID 146145104

IUPAC[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol
SMILESCc1nnc(-c2cccc(NCc3nc(CO)cs3)c2)n1C
InChIInChI=1S/C15H17N5OS/c1-10-18-19-15(20(10)2)11-4-3-5-12(6-11)16-7-14-17-13(8-21)9-22-14/h3-6,9,16,21H,7-8H2,1-2H3
InChIKeyLKAWAJMFJVKSDT-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.35
Rot. Bonds5

About [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol

[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 146145104) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol
PubChem CID146145104
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol
SMILESCc1nnc(-c2cccc(NCc3nc(CO)cs3)c2)n1C
InChIInChI=1S/C15H17N5OS/c1-10-18-19-15(20(10)2)11-4-3-5-12(6-11)16-7-14-17-13(8-21)9-22-14/h3-6,9,16,21H,7-8H2,1-2H3
InChIKeyLKAWAJMFJVKSDT-UHFFFAOYSA-N
XLogP2.35
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol (CID 146145104) is [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol is Cc1nnc(-c2cccc(NCc3nc(CO)cs3)c2)n1C.
What is the InChIKey of [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is LKAWAJMFJVKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10-18-19-15(20(10)2)11-4-3-5-12(6-11)16-7-14-17-13(8-21)9-22-14/h3-6,9,16,21H,7-8H2,1-2H3.
What are the key properties of [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol?
[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 315.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 146145104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).