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

C15H19N3S2 — CID 3001108

IUPAC1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea
SMILESCC(C)c1csc(NC(=S)NCCc2ccccc2)n1
InChIInChI=1S/C15H19N3S2/c1-11(2)13-10-20-15(17-13)18-14(19)16-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyWXIISNREJKBCAO-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.80
Rot. Bonds5

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

1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea (PubChem CID 3001108) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea
PubChem CID3001108
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea
SMILESCC(C)c1csc(NC(=S)NCCc2ccccc2)n1
InChIInChI=1S/C15H19N3S2/c1-11(2)13-10-20-15(17-13)18-14(19)16-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyWXIISNREJKBCAO-UHFFFAOYSA-N
XLogP3.80
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.80
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-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea (CID 3001108) is 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea is CC(C)c1csc(NC(=S)NCCc2ccccc2)n1.
What is the InChIKey of 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea?
The InChIKey is WXIISNREJKBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-11(2)13-10-20-15(17-13)18-14(19)16-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea?
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea has a molecular weight of 305.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3001108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).