1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

C14H18N4O2S — CID 94138885

IUPAC1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nncs1)[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H18N4O2S/c1-4-18(14(19)16-13-17-15-9-21-13)10(2)11-6-5-7-12(8-11)20-3/h5-10H,4H2,1-3H3,(H,16,17,19)/t10-/m1/s1
InChIKeyUGEBJYRADUOJIC-SNVBAGLBSA-N
MW306.39 g/mol
LogP3.16
Rot. Bonds5

About 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 94138885) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID94138885
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCCN(C(=O)Nc1nncs1)[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H18N4O2S/c1-4-18(14(19)16-13-17-15-9-21-13)10(2)11-6-5-7-12(8-11)20-3/h5-10H,4H2,1-3H3,(H,16,17,19)/t10-/m1/s1
InChIKeyUGEBJYRADUOJIC-SNVBAGLBSA-N
XLogP3.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-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

3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943844
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
CID 94345225
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024674

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 94138885) is 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea is CCN(C(=O)Nc1nncs1)[C@H](C)c1cccc(OC)c1.
What is the InChIKey of 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is UGEBJYRADUOJIC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-18(14(19)16-13-17-15-9-21-13)10(2)11-6-5-7-12(8-11)20-3/h5-10H,4H2,1-3H3,(H,16,17,19)/t10-/m1/s1.
What are the key properties of 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 306.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94138885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).