4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide

C14H12N4OS — CID 19576977

IUPAC4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(=S)n(-c2cccc3ccccc23)c1N
InChIInChI=1S/C14H12N4OS/c15-12-11(13(16)19)17-14(20)18(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,15H2,(H2,16,19)(H,17,20)
InChIKeyFSKAXDSDZZRLCS-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.37
Rot. Bonds2

About 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide

4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide (PubChem CID 19576977) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide
PubChem CID19576977
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(=S)n(-c2cccc3ccccc23)c1N
InChIInChI=1S/C14H12N4OS/c15-12-11(13(16)19)17-14(20)18(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,15H2,(H2,16,19)(H,17,20)
InChIKeyFSKAXDSDZZRLCS-UHFFFAOYSA-N
XLogP2.37
TPSA89.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 29067678
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4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione
CID 57168685
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
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3-[2,5-dihydroxy-4-(1-hydroxyethenyl)phenyl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
CID 143627674
diethyl 2,6-diamino-1,5-dinaphthalen-1-yl-4,8-dihydropyrrolo[2,3-f]indole-3,7-dicarboxylate
CID 102301546
CID 129133768
CID 129133768
3-[(3E,5Z)-7-amino-5-methylocta-3,5,7-trien-4-yl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
CID 143627755
2-methyl-3-naphthalen-1-yl-4H-imidazo[4,5-b]pyridin-5-one
CID 58345682
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334
2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide
CID 168933549

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide?
The IUPAC name of 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide (CID 19576977) is 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c(=S)n(-c2cccc3ccccc23)c1N.
What is the InChIKey of 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide?
The InChIKey is FSKAXDSDZZRLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-12-11(13(16)19)17-14(20)18(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,15H2,(H2,16,19)(H,17,20).
What are the key properties of 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide?
4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide is sourced from PubChem (CID 19576977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).