1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea

C16H15N3S2 — CID 108781601

IUPAC1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
SMILESCCNC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H15N3S2/c1-2-17-15(20)19-16-18-14(10-21-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyKRXXJNCTGCPKQJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.27
Rot. Bonds3

About 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea

1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea (PubChem CID 108781601) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
PubChem CID108781601
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
SMILESCCNC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H15N3S2/c1-2-17-15(20)19-16-18-14(10-21-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyKRXXJNCTGCPKQJ-UHFFFAOYSA-N
XLogP4.27
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.27
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

N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 17100090
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 5229607
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea (CID 108781601) is 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea is CCNC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea?
The InChIKey is KRXXJNCTGCPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c1-2-17-15(20)19-16-18-14(10-21-16)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea?
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea has a molecular weight of 313.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 108781601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).