1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea

C19H15N3OS2 — CID 91641569

IUPAC1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea
SMILESS=C(NCc1coc(-c2cccs2)n1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15N3OS2/c24-19(22-15-8-7-13-4-1-2-5-14(13)10-15)20-11-16-12-23-18(21-16)17-6-3-9-25-17/h1-10,12H,11H2,(H2,20,22,24)
InChIKeyNTDLOANSLHBGPN-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.04
Rot. Bonds4

About 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea

1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea (PubChem CID 91641569) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea
PubChem CID91641569
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea
SMILESS=C(NCc1coc(-c2cccs2)n1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15N3OS2/c24-19(22-15-8-7-13-4-1-2-5-14(13)10-15)20-11-16-12-23-18(21-16)17-6-3-9-25-17/h1-10,12H,11H2,(H2,20,22,24)
InChIKeyNTDLOANSLHBGPN-UHFFFAOYSA-N
XLogP5.04
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea?
The IUPAC name of 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea (CID 91641569) is 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea?
The canonical SMILES for 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea is S=C(NCc1coc(-c2cccs2)n1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea?
The InChIKey is NTDLOANSLHBGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c24-19(22-15-8-7-13-4-1-2-5-14(13)10-15)20-11-16-12-23-18(21-16)17-6-3-9-25-17/h1-10,12H,11H2,(H2,20,22,24).
What are the key properties of 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea?
1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea has a molecular weight of 365.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiourea is sourced from PubChem (CID 91641569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).