1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

C16H15N3S2 — CID 19703671

IUPAC1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCc1ccc2ccccc2c1)Nc1nccs1
InChIInChI=1S/C16H15N3S2/c20-15(19-16-18-9-10-21-16)17-8-7-12-5-6-13-3-1-2-4-14(13)11-12/h1-6,9-11H,7-8H2,(H2,17,18,19,20)
InChIKeyOBUKXALFNHCDIG-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.83
Rot. Bonds4

About 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 19703671) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID19703671
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCc1ccc2ccccc2c1)Nc1nccs1
InChIInChI=1S/C16H15N3S2/c20-15(19-16-18-9-10-21-16)17-8-7-12-5-6-13-3-1-2-4-14(13)11-12/h1-6,9-11H,7-8H2,(H2,17,18,19,20)
InChIKeyOBUKXALFNHCDIG-UHFFFAOYSA-N
XLogP3.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001163
1-(1H-imidazol-2-yl)-3-(2-naphthalen-2-ylethyl)thiourea
CID 19703354
1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 22923229
1-(3-methyl-2-pyridinyl)-3-(2-naphthalen-2-ylethyl)thiourea
CID 19703669
1-[2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001098
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
CID 20980166
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47085432
2-tert-butyl-1-naphthalen-2-yl-3-(1,3-thiazol-2-yl)guanidine
CID 3055124

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 19703671) is 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCc1ccc2ccccc2c1)Nc1nccs1.
What is the InChIKey of 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is OBUKXALFNHCDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c20-15(19-16-18-9-10-21-16)17-8-7-12-5-6-13-3-1-2-4-14(13)11-12/h1-6,9-11H,7-8H2,(H2,17,18,19,20).
What are the key properties of 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 313.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 19703671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).