6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C14H16N6S2 — CID 54765305

IUPAC6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4nncs4)CC3)ncnc2s1
InChIInChI=1S/C14H16N6S2/c1-2-10-7-11-12(15-8-16-13(11)22-10)19-3-5-20(6-4-19)14-18-17-9-21-14/h7-9H,2-6H2,1H3
InChIKeyQOGDOJHPYGQHKV-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.43
Rot. Bonds3

About 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 54765305) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID54765305
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4nncs4)CC3)ncnc2s1
InChIInChI=1S/C14H16N6S2/c1-2-10-7-11-12(15-8-16-13(11)22-10)19-3-5-20(6-4-19)14-18-17-9-21-14/h7-9H,2-6H2,1H3
InChIKeyQOGDOJHPYGQHKV-UHFFFAOYSA-N
XLogP2.43
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
4-{4-[5-(Difluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297462
6-(2,2,2-Trifluoroethyl)-4-{4-[5-(Trifluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}thieno[2,3-D]pyrimidine
CID 86297465
4-[4-(5-Methyl-1,3,4-Thiadiazol-2-Yl)piperazin-1-Yl]-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 90453086
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
CID 58334279
CID 58334279
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2-Fluoroethyl)thieno[2,3-D]pyrimidine
CID 91864570
6-(2,2-Difluoroethyl)-4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]thieno[2,3-D]pyrimidine
CID 122189305
4-{4-[5-(Fluoromethyl)-1,3,4-Thiadiazol-2-Yl]piperazin-1-Yl}-6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidine
CID 86297674

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 54765305) is 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4nncs4)CC3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is QOGDOJHPYGQHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S2/c1-2-10-7-11-12(15-8-16-13(11)22-10)19-3-5-20(6-4-19)14-18-17-9-21-14/h7-9H,2-6H2,1H3.
What are the key properties of 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 332.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 54765305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).