1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

C15H19N3OS2 — CID 3001085

IUPAC1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESCC(C)Oc1cccc(CCNC(=S)Nc2nccs2)c1
InChIInChI=1S/C15H19N3OS2/c1-11(2)19-13-5-3-4-12(10-13)6-7-16-14(20)18-15-17-8-9-21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,16,17,18,20)
InChIKeyFERBSDMHYCEOGB-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.46
Rot. Bonds6

About 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea

1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3001085) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3001085
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESCC(C)Oc1cccc(CCNC(=S)Nc2nccs2)c1
InChIInChI=1S/C15H19N3OS2/c1-11(2)19-13-5-3-4-12(10-13)6-7-16-14(20)18-15-17-8-9-21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,16,17,18,20)
InChIKeyFERBSDMHYCEOGB-UHFFFAOYSA-N
XLogP3.46
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
Thiourea, N-(2-(2,6-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001088
Thiourea, N-(2-(2,5-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001089
Thiourea, N-(2-(5-bromo-2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001090
Thiourea, N-(2-(2-fluoro-6-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001091
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
Thiourea, N-(2-(3-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001165
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea
CID 3003029
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea (CID 3001085) is 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is CC(C)Oc1cccc(CCNC(=S)Nc2nccs2)c1.
What is the InChIKey of 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is FERBSDMHYCEOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-11(2)19-13-5-3-4-12(10-13)6-7-16-14(20)18-15-17-8-9-21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea?
1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 321.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yloxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3001085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).