4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C18H17N5S3 — CID 24606979

IUPAC4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)c2sccc2n1
InChIInChI=1S/C18H17N5S3/c1-7-24-10-13(1)18-21-14(11-26-18)9-22-3-5-23(6-4-22)17-16-15(2-8-25-16)19-12-20-17/h1-2,7-8,10-12H,3-6,9H2
InChIKeyJLLKAIPFZIRVNN-UHFFFAOYSA-N
MW399.57 g/mol
LogP4.20
Rot. Bonds4

About 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 24606979) has the molecular formula C18H17N5S3 and a molecular weight of 399.57 g/mol. Its IUPAC name is 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID24606979
Molecular FormulaC18H17N5S3
Molecular Weight399.57 g/mol
Exact Mass399.06
IUPAC Name4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)c2sccc2n1
InChIInChI=1S/C18H17N5S3/c1-7-24-10-13(1)18-21-14(11-26-18)9-22-3-5-23(6-4-22)17-16-15(2-8-25-16)19-12-20-17/h1-2,7-8,10-12H,3-6,9H2
InChIKeyJLLKAIPFZIRVNN-UHFFFAOYSA-N
XLogP4.20
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine with MolForge

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Related Compounds

2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171130407
5-methyl-3-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 138042383
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17490025
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 146124392
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166601575
5-nitro-6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 24606974
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 55470487

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 24606979) is 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is c1nc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)c2sccc2n1.
What is the InChIKey of 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is JLLKAIPFZIRVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S3/c1-7-24-10-13(1)18-21-14(11-26-18)9-22-3-5-23(6-4-22)17-16-15(2-8-25-16)19-12-20-17/h1-2,7-8,10-12H,3-6,9H2.
What are the key properties of 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 399.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 24606979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).