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

C14H17N3S2 — CID 3001106

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
SMILESCCc1csc(NC(=S)NCCc2ccccc2)n1
InChIInChI=1S/C14H17N3S2/c1-2-12-10-19-14(16-12)17-13(18)15-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKeySMLAKAQKPKAWNV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.23
Rot. Bonds5

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

1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea (PubChem CID 3001106) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
PubChem CID3001106
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea
SMILESCCc1csc(NC(=S)NCCc2ccccc2)n1
InChIInChI=1S/C14H17N3S2/c1-2-12-10-19-14(16-12)17-13(18)15-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)
InChIKeySMLAKAQKPKAWNV-UHFFFAOYSA-N
XLogP3.23
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea (CID 3001106) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea is CCc1csc(NC(=S)NCCc2ccccc2)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea?
The InChIKey is SMLAKAQKPKAWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-2-12-10-19-14(16-12)17-13(18)15-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea?
1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea has a molecular weight of 291.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 3001106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).