1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C17H23N5O3S — CID 167858135

IUPAC1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N(CCO)CCN1CCOCC1
InChIInChI=1S/C17H23N5O3S/c23-11-8-22(7-6-21-9-12-25-13-10-21)17(24)19-16-18-15(20-26-16)14-4-2-1-3-5-14/h1-5,23H,6-13H2,(H,18,19,20,24)
InChIKeyNFDMAUIHQYYLAZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.36
Rot. Bonds7

About 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 167858135) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID167858135
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N(CCO)CCN1CCOCC1
InChIInChI=1S/C17H23N5O3S/c23-11-8-22(7-6-21-9-12-25-13-10-21)17(24)19-16-18-15(20-26-16)14-4-2-1-3-5-14/h1-5,23H,6-13H2,(H,18,19,20,24)
InChIKeyNFDMAUIHQYYLAZ-UHFFFAOYSA-N
XLogP1.36
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)-1-(3-phenyl-3-thiophen-2-ylpropyl)urea
CID 59499346
3-(5-cyano-4-phenyl-1,3-thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 72725272
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea
CID 72725152
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 59499345
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 102284424
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
CID 16735041
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 100665927
1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride
CID 11955289
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875113
3-(4-chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955189
3-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 59499320
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 167858135) is 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is O=C(Nc1nc(-c2ccccc2)ns1)N(CCO)CCN1CCOCC1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is NFDMAUIHQYYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c23-11-8-22(7-6-21-9-12-25-13-10-21)17(24)19-16-18-15(20-26-16)14-4-2-1-3-5-14/h1-5,23H,6-13H2,(H,18,19,20,24).
What are the key properties of 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 377.47 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 167858135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).