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

C16H19N5S2 — CID 146124392

IUPAC4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nc(CCN2CCN(c3ncnc4ccsc34)CC2)cs1
InChIInChI=1S/C16H19N5S2/c1-12-19-13(10-23-12)2-4-20-5-7-21(8-6-20)16-15-14(3-9-22-15)17-11-18-16/h3,9-11H,2,4-8H2,1H3
InChIKeySEYAPPYAFPTHRC-UHFFFAOYSA-N
MW345.50 g/mol
LogP2.82
Rot. Bonds4

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

4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 146124392) has the molecular formula C16H19N5S2 and a molecular weight of 345.50 g/mol. Its IUPAC name is 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID146124392
Molecular FormulaC16H19N5S2
Molecular Weight345.50 g/mol
Exact Mass345.11
IUPAC Name4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nc(CCN2CCN(c3ncnc4ccsc34)CC2)cs1
InChIInChI=1S/C16H19N5S2/c1-12-19-13(10-23-12)2-4-20-5-7-21(8-6-20)16-15-14(3-9-22-15)17-11-18-16/h3,9-11H,2,4-8H2,1H3
InChIKeySEYAPPYAFPTHRC-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24606979
2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 91828569
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
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
6-(4-chlorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24607009
4-[2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 91834184
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 138008494

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 146124392) is 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is Cc1nc(CCN2CCN(c3ncnc4ccsc34)CC2)cs1.
What is the InChIKey of 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is SEYAPPYAFPTHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S2/c1-12-19-13(10-23-12)2-4-20-5-7-21(8-6-20)16-15-14(3-9-22-15)17-11-18-16/h3,9-11H,2,4-8H2,1H3.
What are the key properties of 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 345.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 146124392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).