N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C13H14N6O2S — CID 58710387

IUPACN-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(CCc2ncnc3c2NCC(=O)N3)s1
InChIInChI=1S/C13H14N6O2S/c1-14-13(21)8-4-15-10(22-8)3-2-7-11-12(18-6-17-7)19-9(20)5-16-11/h4,6,16H,2-3,5H2,1H3,(H,14,21)(H,17,18,19,20)
InChIKeySDIAKJBOKFWJMH-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.44
Rot. Bonds4

About N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide

N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 58710387) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID58710387
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC NameN-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(CCc2ncnc3c2NCC(=O)N3)s1
InChIInChI=1S/C13H14N6O2S/c1-14-13(21)8-4-15-10(22-8)3-2-7-11-12(18-6-17-7)19-9(20)5-16-11/h4,6,16H,2-3,5H2,1H3,(H,14,21)(H,17,18,19,20)
InChIKeySDIAKJBOKFWJMH-UHFFFAOYSA-N
XLogP0.44
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 58710387) is N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(CCc2ncnc3c2NCC(=O)N3)s1.
What is the InChIKey of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SDIAKJBOKFWJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-14-13(21)8-4-15-10(22-8)3-2-7-11-12(18-6-17-7)19-9(20)5-16-11/h4,6,16H,2-3,5H2,1H3,(H,14,21)(H,17,18,19,20).
What are the key properties of N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(7-oxo-6,8-dihydro-5H-pteridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58710387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).