3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea

C20H32N4OS — CID 4188209

IUPAC3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
SMILESS=C(NC1CCCCCC1)N(CCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C20H32N4OS/c26-20(22-19-5-3-1-2-4-6-19)24(17-18-7-9-21-10-8-18)12-11-23-13-15-25-16-14-23/h7-10,19H,1-6,11-17H2,(H,22,26)
InChIKeyHCZJPHRFCNBISR-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.81
Rot. Bonds6

About 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea

3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea (PubChem CID 4188209) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea.

Molecular Properties

Compound Name3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
PubChem CID4188209
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
SMILESS=C(NC1CCCCCC1)N(CCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C20H32N4OS/c26-20(22-19-5-3-1-2-4-6-19)24(17-18-7-9-21-10-8-18)12-11-23-13-15-25-16-14-23/h7-10,19H,1-6,11-17H2,(H,22,26)
InChIKeyHCZJPHRFCNBISR-UHFFFAOYSA-N
XLogP2.81
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-cyclooctyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 17065602
3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17065621
3-cyclooctyl-1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17065692
3-cyclooctyl-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea
CID 17065733
3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1136959
3-(2-chloro-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 5169082
1-benzyl-3-cyclohexyl-1-(2-phenylethyl)thiourea
CID 2470828
3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82330460
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
CID 17065496
1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylthiourea
CID 4112704
1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065944
1-[(4-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065822

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea?
The IUPAC name of 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea (CID 4188209) is 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea.
What is the SMILES notation for 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea?
The canonical SMILES for 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea is S=C(NC1CCCCCC1)N(CCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea?
The InChIKey is HCZJPHRFCNBISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c26-20(22-19-5-3-1-2-4-6-19)24(17-18-7-9-21-10-8-18)12-11-23-13-15-25-16-14-23/h7-10,19H,1-6,11-17H2,(H,22,26).
What are the key properties of 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea?
3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea has a molecular weight of 376.57 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea is sourced from PubChem (CID 4188209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).