3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea

C19H25N3OS — CID 5141501

IUPAC3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea
SMILESCCOc1ccc(NC(=S)N(CCc2ccncc2)C(C)C)cc1
InChIInChI=1S/C19H25N3OS/c1-4-23-18-7-5-17(6-8-18)21-19(24)22(15(2)3)14-11-16-9-12-20-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,24)
InChIKeyNOSLHSILNVUZMT-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.13
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea

3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea (PubChem CID 5141501) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea
PubChem CID5141501
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea
SMILESCCOc1ccc(NC(=S)N(CCc2ccncc2)C(C)C)cc1
InChIInChI=1S/C19H25N3OS/c1-4-23-18-7-5-17(6-8-18)21-19(24)22(15(2)3)14-11-16-9-12-20-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,24)
InChIKeyNOSLHSILNVUZMT-UHFFFAOYSA-N
XLogP4.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxyphenyl)-N'-(2-pyridinyl)thiourea
CID 686300
1-(4-methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea
CID 9554754
4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 742765
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-(4-methoxyphenyl)-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea
CID 6180769
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001123
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(2,4-Dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 763140
1-(4-Phenoxyphenyl)-3-pyridin-3-ylthiourea
CID 1870641
1-(4-Ethoxyphenyl)-3-(5-isoquinolinyl)thiourea
CID 2371973
1-(4-Ethoxyphenyl)-3-pyridin-3-ylthiourea
CID 2372273
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea (CID 5141501) is 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea is CCOc1ccc(NC(=S)N(CCc2ccncc2)C(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea?
The InChIKey is NOSLHSILNVUZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-23-18-7-5-17(6-8-18)21-19(24)22(15(2)3)14-11-16-9-12-20-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,21,24).
What are the key properties of 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea?
3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea has a molecular weight of 343.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-propan-2-yl-1-(2-pyridin-4-ylethyl)thiourea is sourced from PubChem (CID 5141501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).