(5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol

C14H13N3OS — CID 105103933

IUPAC(5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(-c3ccccc3)n2)cs1
InChIInChI=1S/C14H13N3OS/c1-10-7-11(9-19-10)14(18)13-8-15-17(16-13)12-5-3-2-4-6-12/h2-9,14,18H,1H3
InChIKeyPQZLDOTZJCPFFU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.72
Rot. Bonds3

About (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol

(5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105103933) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105103933
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(-c3ccccc3)n2)cs1
InChIInChI=1S/C14H13N3OS/c1-10-7-11(9-19-10)14(18)13-8-15-17(16-13)12-5-3-2-4-6-12/h2-9,14,18H,1H3
InChIKeyPQZLDOTZJCPFFU-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenylmethoxy-5-thiophen-2-yltriazole
CID 11747260
4-[4-[(S)-hydroxy(thiophen-2-yl)methyl]triazol-1-yl]benzonitrile
CID 155935486
(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
[3-[5-(2H-triazol-4-yl)thiophen-3-yl]phenyl]methanol
CID 144461949
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
1-benzothiophen-7-yl(2H-triazol-4-yl)methanol
CID 81154209
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol (CID 105103933) is (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol is Cc1cc(C(O)c2cnn(-c3ccccc3)n2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is PQZLDOTZJCPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-7-11(9-19-10)14(18)13-8-15-17(16-13)12-5-3-2-4-6-12/h2-9,14,18H,1H3.
What are the key properties of (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
(5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol has a molecular weight of 271.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105103933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).