6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline

C15H11N5S2 — CID 133426529

IUPAC6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline
SMILESCc1ccc2ncnc(Sc3n[nH]c(-c4cccs4)n3)c2c1
InChIInChI=1S/C15H11N5S2/c1-9-4-5-11-10(7-9)14(17-8-16-11)22-15-18-13(19-20-15)12-3-2-6-21-12/h2-8H,1H3,(H,18,19,20)
InChIKeyDNFUOFFGGRTAOT-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.94
Rot. Bonds3

About 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline

6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline (PubChem CID 133426529) has the molecular formula C15H11N5S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline.

Molecular Properties

Compound Name6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline
PubChem CID133426529
Molecular FormulaC15H11N5S2
Molecular Weight325.42 g/mol
Exact Mass325.05
IUPAC Name6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline
SMILESCc1ccc2ncnc(Sc3n[nH]c(-c4cccs4)n3)c2c1
InChIInChI=1S/C15H11N5S2/c1-9-4-5-11-10(7-9)14(17-8-16-11)22-15-18-13(19-20-15)12-3-2-6-21-12/h2-8H,1H3,(H,18,19,20)
InChIKeyDNFUOFFGGRTAOT-UHFFFAOYSA-N
XLogP3.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 2427019
3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857275
(2R)-3-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile
CID 8522721
(2S)-N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7456909
(2R)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 100515605
6-ethyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 31655148
4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 2456217
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
CID 18708153
3-[(2-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857218
(2R)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7456934
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6927999
3-pentylsulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 75415148

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The IUPAC name of 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline (CID 133426529) is 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline.
What is the SMILES notation for 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The canonical SMILES for 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline is Cc1ccc2ncnc(Sc3n[nH]c(-c4cccs4)n3)c2c1.
What is the InChIKey of 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
The InChIKey is DNFUOFFGGRTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S2/c1-9-4-5-11-10(7-9)14(17-8-16-11)22-15-18-13(19-20-15)12-3-2-6-21-12/h2-8H,1H3,(H,18,19,20).
What are the key properties of 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline?
6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline has a molecular weight of 325.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline is sourced from PubChem (CID 133426529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).