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

C12H11N5S2 — CID 17463099

IUPAC4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCn1c(Sc2ncnc3sccc23)nnc1C1CC1
InChIInChI=1S/C12H11N5S2/c1-17-9(7-2-3-7)15-16-12(17)19-11-8-4-5-18-10(8)13-6-14-11/h4-7H,2-3H2,1H3
InChIKeyCTRZZDWXYYKWCE-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.85
Rot. Bonds3

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

4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 17463099) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID17463099
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCn1c(Sc2ncnc3sccc23)nnc1C1CC1
InChIInChI=1S/C12H11N5S2/c1-17-9(7-2-3-7)15-16-12(17)19-11-8-4-5-18-10(8)13-6-14-11/h4-7H,2-3H2,1H3
InChIKeyCTRZZDWXYYKWCE-UHFFFAOYSA-N
XLogP2.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-Methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 2139595
5-Iodo-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 44825285
4-(1-Methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine
CID 3956601
2-Thieno[2,3-d]pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
CID 16340198
3-ethyl-5-{thieno[2,3-d]pyrimidin-4-ylsulfanyl}-4H-1,2,4-triazole
CID 18168020
4-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53599016
4-(1-Methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 2377964
N,N-Dimethylthieno[2,3-d]pyrimidin-4-amine
CID 13038349
4-[2-(1,2,4-Triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 53567264
4-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 53573268
4-[3-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53589593
4-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 72144397

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 17463099) is 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is Cn1c(Sc2ncnc3sccc23)nnc1C1CC1.
What is the InChIKey of 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is CTRZZDWXYYKWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-17-9(7-2-3-7)15-16-12(17)19-11-8-4-5-18-10(8)13-6-14-11/h4-7H,2-3H2,1H3.
What are the key properties of 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 289.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17463099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).