[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol

C14H13N3OS2 — CID 82200897

IUPAC[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCSc1cccc(-n2nnc(CO)c2-c2cccs2)c1
InChIInChI=1S/C14H13N3OS2/c1-19-11-5-2-4-10(8-11)17-14(12(9-18)15-16-17)13-6-3-7-20-13/h2-8,18H,9H2,1H3
InChIKeyGRNSSXSNGDMHQT-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.21
Rot. Bonds4

About [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol

[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 82200897) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID82200897
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCSc1cccc(-n2nnc(CO)c2-c2cccs2)c1
InChIInChI=1S/C14H13N3OS2/c1-19-11-5-2-4-10(8-11)17-14(12(9-18)15-16-17)13-6-3-7-20-13/h2-8,18H,9H2,1H3
InChIKeyGRNSSXSNGDMHQT-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
CID 94938963
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106
[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94935792
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 94962827
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
1-[1-(3-methylsulfanylphenyl)-5-phenyltriazol-4-yl]ethanone
CID 94940193
[5-tert-butyl-1-(3-methylsulfanylphenyl)triazol-4-yl]methanamine
CID 82200919
1-(3-methylphenyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 50945152
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
methyl 5-methyl-1-(3-methylsulfanylphenyl)triazole-4-carboxylate
CID 94068957
2-[4-[4-(aminomethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetic acid
CID 94935952
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (CID 82200897) is [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is CSc1cccc(-n2nnc(CO)c2-c2cccs2)c1.
What is the InChIKey of [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is GRNSSXSNGDMHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-19-11-5-2-4-10(8-11)17-14(12(9-18)15-16-17)13-6-3-7-20-13/h2-8,18H,9H2,1H3.
What are the key properties of [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 303.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82200897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).