azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide

C13H13N7O3S — CID 143245716

IUPACazane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide
SMILESCC(NC(=O)c1ncnc2[nH]c(=O)cnc12)c1ncc(C=O)s1.N
InChIInChI=1S/C13H10N6O3S.H3N/c1-6(13-15-2-7(4-20)23-13)18-12(22)10-9-11(17-5-16-10)19-8(21)3-14-9;/h2-6H,1H3,(H,18,22)(H,16,17,19,21);1H3
InChIKeyRAQHSUNQHRDRLZ-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.64
Rot. Bonds4

About azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide

azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide (PubChem CID 143245716) has the molecular formula C13H13N7O3S and a molecular weight of 347.36 g/mol. Its IUPAC name is azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide.

Molecular Properties

Compound Nameazane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide
PubChem CID143245716
Molecular FormulaC13H13N7O3S
Molecular Weight347.36 g/mol
Exact Mass347.08
IUPAC Nameazane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide
SMILESCC(NC(=O)c1ncnc2[nH]c(=O)cnc12)c1ncc(C=O)s1.N
InChIInChI=1S/C13H10N6O3S.H3N/c1-6(13-15-2-7(4-20)23-13)18-12(22)10-9-11(17-5-16-10)19-8(21)3-14-9;/h2-6H,1H3,(H,18,22)(H,16,17,19,21);1H3
InChIKeyRAQHSUNQHRDRLZ-UHFFFAOYSA-N
XLogP0.64
TPSA165.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-6,8-dihydro-5H-pteridine-4-carboxamide
CID 143245702
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
N-(3-ethyl-4-methylphenyl)-2-[(2S)-4-oxo-4-(7-oxo-8H-pteridin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 58182583
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040411
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
2-[(1S)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 164637639
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469

Frequently Asked Questions

What is the IUPAC name of azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide?
The IUPAC name of azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide (CID 143245716) is azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide.
What is the SMILES notation for azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide?
The canonical SMILES for azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide is CC(NC(=O)c1ncnc2[nH]c(=O)cnc12)c1ncc(C=O)s1.N.
What is the InChIKey of azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide?
The InChIKey is RAQHSUNQHRDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O3S.H3N/c1-6(13-15-2-7(4-20)23-13)18-12(22)10-9-11(17-5-16-10)19-8(21)3-14-9;/h2-6H,1H3,(H,18,22)(H,16,17,19,21);1H3.
What are the key properties of azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide?
azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-8H-pteridine-4-carboxamide is sourced from PubChem (CID 143245716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).