4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline

C16H20N4S — CID 82169394

IUPAC4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1csc(-c2nc3c(c(N4CCNCC4)n2)CCCC3)c1
InChIInChI=1S/C16H20N4S/c1-2-5-13-12(4-1)16(20-9-7-17-8-10-20)19-15(18-13)14-6-3-11-21-14/h3,6,11,17H,1-2,4-5,7-10H2
InChIKeyRINCPGCTJXECNJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.49
Rot. Bonds2

About 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline

4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 82169394) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID82169394
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESc1csc(-c2nc3c(c(N4CCNCC4)n2)CCCC3)c1
InChIInChI=1S/C16H20N4S/c1-2-5-13-12(4-1)16(20-9-7-17-8-10-20)19-15(18-13)14-6-3-11-21-14/h3,6,11,17H,1-2,4-5,7-10H2
InChIKeyRINCPGCTJXECNJ-UHFFFAOYSA-N
XLogP2.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 139665129
4-piperazin-1-yl-2,5-dithiophen-2-ylthieno[2,3-d]pyrimidine;hydrochloride
CID 118721288
2-(4-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353
2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525351
4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
CID 82295356
1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine
CID 63042706
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
2-(6-methyl-2-pyridinyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
CID 71276597
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
CID 82479940
1-(5-thiophen-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 116976383
4-(2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 42933931

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline (CID 82169394) is 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline is c1csc(-c2nc3c(c(N4CCNCC4)n2)CCCC3)c1.
What is the InChIKey of 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is RINCPGCTJXECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-5-13-12(4-1)16(20-9-7-17-8-10-20)19-15(18-13)14-6-3-11-21-14/h3,6,11,17H,1-2,4-5,7-10H2.
What are the key properties of 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline?
4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 300.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 82169394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).