1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea

C18H27N5OS — CID 112825287

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCC(CC)c1nnc(NC(=O)NC(CN(C)C)c2ccccc2)s1
InChIInChI=1S/C18H27N5OS/c1-5-13(6-2)16-21-22-18(25-16)20-17(24)19-15(12-23(3)4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H2,19,20,22,24)
InChIKeyHOEAUUWDYUKOBD-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.87
Rot. Bonds8

About 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea

1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 112825287) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID112825287
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCC(CC)c1nnc(NC(=O)NC(CN(C)C)c2ccccc2)s1
InChIInChI=1S/C18H27N5OS/c1-5-13(6-2)16-21-22-18(25-16)20-17(24)19-15(12-23(3)4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H2,19,20,22,24)
InChIKeyHOEAUUWDYUKOBD-UHFFFAOYSA-N
XLogP3.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-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

2-chloro-N-[(1S)-3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]-1-phenylpropyl]benzamide
CID 2079583
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111431679
1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylthiourea
CID 4763312
1-(1,2-oxazol-3-ylmethyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 71981545
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
ethyl (3S)-3-[[5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenylpropanoate
CID 92678641
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110908064

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea (CID 112825287) is 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea is CCC(CC)c1nnc(NC(=O)NC(CN(C)C)c2ccccc2)s1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is HOEAUUWDYUKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-5-13(6-2)16-21-22-18(25-16)20-17(24)19-15(12-23(3)4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3,(H2,19,20,22,24).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 361.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 112825287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).