4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine

C18H15N5S2 — CID 133408670

IUPAC4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nnc(C4CC4)n3-c3ccccc3)ncnc2s1
InChIInChI=1S/C18H15N5S2/c1-11-9-14-16(24-11)19-10-20-17(14)25-18-22-21-15(12-7-8-12)23(18)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8H2,1H3
InChIKeyMRRUIYXWUNPMLH-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.61
Rot. Bonds4

About 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine

4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133408670) has the molecular formula C18H15N5S2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID133408670
Molecular FormulaC18H15N5S2
Molecular Weight365.49 g/mol
Exact Mass365.08
IUPAC Name4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nnc(C4CC4)n3-c3ccccc3)ncnc2s1
InChIInChI=1S/C18H15N5S2/c1-11-9-14-16(24-11)19-10-20-17(14)25-18-22-21-15(12-7-8-12)23(18)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8H2,1H3
InChIKeyMRRUIYXWUNPMLH-UHFFFAOYSA-N
XLogP4.61
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
CID 133408075
1-[4-(4-fluorophenyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-3-yl]-N,N-dimethylethanamine
CID 133408324
6-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
CID 133408236
4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408319
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 6458768
4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408272
3-cyclopentylsulfanyl-5-cyclopropyl-4-phenyl-1,2,4-triazole
CID 52724779
4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 155949935
6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide
CID 2474112
4-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 2425255
4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 3341968

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine (CID 133408670) is 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Sc3nnc(C4CC4)n3-c3ccccc3)ncnc2s1.
What is the InChIKey of 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is MRRUIYXWUNPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S2/c1-11-9-14-16(24-11)19-10-20-17(14)25-18-22-21-15(12-7-8-12)23(18)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine?
4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 365.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133408670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).