2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline

C21H20N4S2 — CID 55377922

IUPAC2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1csc(CN2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)c1
InChIInChI=1S/C21H20N4S2/c1-2-6-19-18(5-1)21(23-20(22-19)16-7-13-26-15-16)25-10-8-24(9-11-25)14-17-4-3-12-27-17/h1-7,12-13,15H,8-11,14H2
InChIKeyKSLJHQKGOAZWPX-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.74
Rot. Bonds4

About 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline

2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline (PubChem CID 55377922) has the molecular formula C21H20N4S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
PubChem CID55377922
Molecular FormulaC21H20N4S2
Molecular Weight392.55 g/mol
Exact Mass392.11
IUPAC Name2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1csc(CN2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)c1
InChIInChI=1S/C21H20N4S2/c1-2-6-19-18(5-1)21(23-20(22-19)16-7-13-26-15-16)25-10-8-24(9-11-25)14-17-4-3-12-27-17/h1-7,12-13,15H,8-11,14H2
InChIKeyKSLJHQKGOAZWPX-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
2-thiophen-2-yl-4-(2-thiophen-3-ylquinazolin-4-yl)morpholine
CID 133363520
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
CID 133280022
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479287
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
2-(3-chlorothiophen-2-yl)-4-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]quinazoline
CID 91964542
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline?
The IUPAC name of 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline (CID 55377922) is 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline is c1csc(CN2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)c1.
What is the InChIKey of 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline?
The InChIKey is KSLJHQKGOAZWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S2/c1-2-6-19-18(5-1)21(23-20(22-19)16-7-13-26-15-16)25-10-8-24(9-11-25)14-17-4-3-12-27-17/h1-7,12-13,15H,8-11,14H2.
What are the key properties of 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline?
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline has a molecular weight of 392.55 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 55377922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).