5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid

C15H16N4O2S2 — CID 56706106

IUPAC5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCCc1nc(CNc2ncnc3sc(C(=O)O)c(C)c23)cs1
InChIInChI=1S/C15H16N4O2S2/c1-3-4-10-19-9(6-22-10)5-16-13-11-8(2)12(15(20)21)23-14(11)18-7-17-13/h6-7H,3-5H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyPZHLWTPPNCRZLP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.72
Rot. Bonds6

About 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 56706106) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID56706106
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCCc1nc(CNc2ncnc3sc(C(=O)O)c(C)c23)cs1
InChIInChI=1S/C15H16N4O2S2/c1-3-4-10-19-9(6-22-10)5-16-13-11-8(2)12(15(20)21)23-14(11)18-7-17-13/h6-7H,3-5H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyPZHLWTPPNCRZLP-UHFFFAOYSA-N
XLogP3.72
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 56706106) is 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid is CCCc1nc(CNc2ncnc3sc(C(=O)O)c(C)c23)cs1.
What is the InChIKey of 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is PZHLWTPPNCRZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-3-4-10-19-9(6-22-10)5-16-13-11-8(2)12(15(20)21)23-14(11)18-7-17-13/h6-7H,3-5H2,1-2H3,(H,20,21)(H,16,17,18).
What are the key properties of 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 56706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).