6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride

C16H21ClN6S2 — CID 6602657

IUPAC6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride
SMILESCCc1cc2c(N3CCN(c4nnc(CC)s4)CC3)ncnc2s1.Cl
InChIInChI=1S/C16H20N6S2.ClH/c1-3-11-9-12-14(17-10-18-15(12)23-11)21-5-7-22(8-6-21)16-20-19-13(4-2)24-16;/h9-10H,3-8H2,1-2H3;1H
InChIKeyKJPLMEITPGLUBH-UHFFFAOYSA-N
MW396.97 g/mol
LogP3.42
Rot. Bonds4

About 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride

6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride (PubChem CID 6602657) has the molecular formula C16H21ClN6S2 and a molecular weight of 396.97 g/mol. Its IUPAC name is 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride
PubChem CID6602657
Molecular FormulaC16H21ClN6S2
Molecular Weight396.97 g/mol
Exact Mass396.10
IUPAC Name6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride
SMILESCCc1cc2c(N3CCN(c4nnc(CC)s4)CC3)ncnc2s1.Cl
InChIInChI=1S/C16H20N6S2.ClH/c1-3-11-9-12-14(17-10-18-15(12)23-11)21-5-7-22(8-6-21)16-20-19-13(4-2)24-16;/h9-10H,3-8H2,1-2H3;1H
InChIKeyKJPLMEITPGLUBH-UHFFFAOYSA-N
XLogP3.42
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.97
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
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
5,6-Dimethyl-4-(4-(pyrimidin-2-yl)piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 711090
1-Methyl-4-{2-methyl-6-phenylthieno[2,3-D]pyrimidin-4-YL}piperazine
CID 2086721

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride?
The IUPAC name of 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride (CID 6602657) is 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride.
What is the SMILES notation for 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride?
The canonical SMILES for 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride is CCc1cc2c(N3CCN(c4nnc(CC)s4)CC3)ncnc2s1.Cl.
What is the InChIKey of 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride?
The InChIKey is KJPLMEITPGLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S2.ClH/c1-3-11-9-12-14(17-10-18-15(12)23-11)21-5-7-22(8-6-21)16-20-19-13(4-2)24-16;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride?
6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride has a molecular weight of 396.97 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 6602657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).