4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C15H17N5OS2 — CID 45166459

IUPAC4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2sc(C(=O)NCc3csc(C)n3)c(C)c12
InChIInChI=1S/C15H17N5OS2/c1-4-16-13-11-8(2)12(23-15(11)19-7-18-13)14(21)17-5-10-6-22-9(3)20-10/h6-7H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyXZBRYQLSPNVIOA-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.13
Rot. Bonds5

About 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45166459) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45166459
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC Name4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2sc(C(=O)NCc3csc(C)n3)c(C)c12
InChIInChI=1S/C15H17N5OS2/c1-4-16-13-11-8(2)12(23-15(11)19-7-18-13)14(21)17-5-10-6-22-9(3)20-10/h6-7H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyXZBRYQLSPNVIOA-UHFFFAOYSA-N
XLogP3.13
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 45166459) is 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCNc1ncnc2sc(C(=O)NCc3csc(C)n3)c(C)c12.
What is the InChIKey of 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XZBRYQLSPNVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-4-16-13-11-8(2)12(23-15(11)19-7-18-13)14(21)17-5-10-6-22-9(3)20-10/h6-7H,4-5H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45166459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).