4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C18H17N5O3S — CID 126466205

IUPAC4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(CNC(=O)c2sc3ncnc(NCc4ccco4)c3c2C)on1
InChIInChI=1S/C18H17N5O3S/c1-10-6-13(26-23-10)8-20-17(24)15-11(2)14-16(21-9-22-18(14)27-15)19-7-12-4-3-5-25-12/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyLVXSOLVFVOSPKO-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.43
Rot. Bonds6

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

4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 126466205) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID126466205
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(CNC(=O)c2sc3ncnc(NCc4ccco4)c3c2C)on1
InChIInChI=1S/C18H17N5O3S/c1-10-6-13(26-23-10)8-20-17(24)15-11(2)14-16(21-9-22-18(14)27-15)19-7-12-4-3-5-25-12/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyLVXSOLVFVOSPKO-UHFFFAOYSA-N
XLogP3.43
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 126466205) is 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(CNC(=O)c2sc3ncnc(NCc4ccco4)c3c2C)on1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LVXSOLVFVOSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-10-6-13(26-23-10)8-20-17(24)15-11(2)14-16(21-9-22-18(14)27-15)19-7-12-4-3-5-25-12/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 126466205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).