(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone

C10H11N3OS — CID 115806752

IUPAC(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnnn2C)sc1C
InChIInChI=1S/C10H11N3OS/c1-6-4-9(15-7(6)2)10(14)8-5-11-12-13(8)3/h4-5H,1-3H3
InChIKeyIZTCSYZZZBMTCK-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.72
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone

(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone (PubChem CID 115806752) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone
PubChem CID115806752
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cnnn2C)sc1C
InChIInChI=1S/C10H11N3OS/c1-6-4-9(15-7(6)2)10(14)8-5-11-12-13(8)3/h4-5H,1-3H3
InChIKeyIZTCSYZZZBMTCK-UHFFFAOYSA-N
XLogP1.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone
CID 86715632
3-methyltriazole-4-carbonyl chloride
CID 119095890
(2,5-dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanone
CID 107967814
(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methanone
CID 102802910
(3,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 114686112
(2-fluoro-4-methylphenyl)-(3-methyltriazol-4-yl)methanone
CID 115806795
1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
(4,5-dimethylthiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 65237167
(3-methyltriazol-4-yl)-quinolin-5-ylmethanone
CID 105131406
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 115806034
(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 115806610
(2-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 114686077

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone (CID 115806752) is (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone is Cc1cc(C(=O)c2cnnn2C)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is IZTCSYZZZBMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-4-9(15-7(6)2)10(14)8-5-11-12-13(8)3/h4-5H,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone?
(4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 221.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 115806752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).