5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C17H21N5S2 — CID 17446302

IUPAC5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(CN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cs1
InChIInChI=1S/C17H21N5S2/c1-11-12(2)24-17-15(11)16(18-10-19-17)22-6-4-21(5-7-22)8-14-9-23-13(3)20-14/h9-10H,4-8H2,1-3H3
InChIKeyDBBZYBKNDCOLHF-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.40
Rot. Bonds3

About 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 17446302) has the molecular formula C17H21N5S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID17446302
Molecular FormulaC17H21N5S2
Molecular Weight359.52 g/mol
Exact Mass359.12
IUPAC Name5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(CN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cs1
InChIInChI=1S/C17H21N5S2/c1-11-12(2)24-17-15(11)16(18-10-19-17)22-6-4-21(5-7-22)8-14-9-23-13(3)20-14/h9-10H,4-8H2,1-3H3
InChIKeyDBBZYBKNDCOLHF-UHFFFAOYSA-N
XLogP3.40
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133351975
N-tert-butyl-2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 9338035
5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 705854
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
6-(4-chlorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 24607009
4-[4-(4-chlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 35475008
5,6-dimethyl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 8566414
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2464198
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 17446302) is 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1nc(CN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cs1.
What is the InChIKey of 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is DBBZYBKNDCOLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S2/c1-11-12(2)24-17-15(11)16(18-10-19-17)22-6-4-21(5-7-22)8-14-9-23-13(3)20-14/h9-10H,4-8H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 359.52 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17446302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).