4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

C19H12N6S2 — CID 155949935

IUPAC4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESc1ccc(-n2c(Sc3ncnc4sccc34)nnc2-c2ccccn2)cc1
InChIInChI=1S/C19H12N6S2/c1-2-6-13(7-3-1)25-16(15-8-4-5-10-20-15)23-24-19(25)27-18-14-9-11-26-17(14)21-12-22-18/h1-12H
InChIKeyDLHRUDQCVYYLRO-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.49
Rot. Bonds4

About 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 155949935) has the molecular formula C19H12N6S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID155949935
Molecular FormulaC19H12N6S2
Molecular Weight388.48 g/mol
Exact Mass388.06
IUPAC Name4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESc1ccc(-n2c(Sc3ncnc4sccc34)nnc2-c2ccccn2)cc1
InChIInChI=1S/C19H12N6S2/c1-2-6-13(7-3-1)25-16(15-8-4-5-10-20-15)23-24-19(25)27-18-14-9-11-26-17(14)21-12-22-18/h1-12H
InChIKeyDLHRUDQCVYYLRO-UHFFFAOYSA-N
XLogP4.49
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133420889
4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 46665728
2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404753
2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404746
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 17421443
2-[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 18708550
6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
2-ethyl-4-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404754
4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408670
1-(4-chlorophenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2218930
4-(4-fluorophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 4814433
4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 51285691

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 155949935) is 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is c1ccc(-n2c(Sc3ncnc4sccc34)nnc2-c2ccccn2)cc1.
What is the InChIKey of 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is DLHRUDQCVYYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6S2/c1-2-6-13(7-3-1)25-16(15-8-4-5-10-20-15)23-24-19(25)27-18-14-9-11-26-17(14)21-12-22-18/h1-12H.
What are the key properties of 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 388.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 155949935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).