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

C14H13N3OS — CID 102842372

IUPAC(2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c1-10-12(7-8-19-10)14(18)13-9-15-17(16-13)11-5-3-2-4-6-11/h2-9,14,18H,1H3
InChIKeyDDEQRYCRVKWFNO-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.72
Rot. Bonds3

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

(2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 102842372) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
PubChem CID102842372
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c1-10-12(7-8-19-10)14(18)13-9-15-17(16-13)11-5-3-2-4-6-11/h2-9,14,18H,1H3
InChIKeyDDEQRYCRVKWFNO-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

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
(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-Phenyltriazol-4-yl)-thiophen-2-ylmethanol
CID 105079990
1-(2-Phenyltriazol-4-yl)-2-thiophen-2-ylethanol
CID 105087185
2-(5-Bromothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087327
2-(5-Chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087453
2-(5-Ethylthiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105087725
1-(2-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105089525

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol (CID 102842372) is (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol is Cc1sccc1C(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is DDEQRYCRVKWFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-12(7-8-19-10)14(18)13-9-15-17(16-13)11-5-3-2-4-6-11/h2-9,14,18H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol?
(2-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 (2-methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 102842372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).