1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea

C15H20N4O2S — CID 111431679

IUPAC1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCC(c1ccccc1)c1nnc(NC(=O)N(C)CCO)s1
InChIInChI=1S/C15H20N4O2S/c1-3-12(11-7-5-4-6-8-11)13-17-18-14(22-13)16-15(21)19(2)9-10-20/h4-8,12,20H,3,9-10H2,1-2H3,(H,16,18,21)
InChIKeyFFYHHTDUCGLLSB-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.54
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea

1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 111431679) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID111431679
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCC(c1ccccc1)c1nnc(NC(=O)N(C)CCO)s1
InChIInChI=1S/C15H20N4O2S/c1-3-12(11-7-5-4-6-8-11)13-17-18-14(22-13)16-15(21)19(2)9-10-20/h4-8,12,20H,3,9-10H2,1-2H3,(H,16,18,21)
InChIKeyFFYHHTDUCGLLSB-UHFFFAOYSA-N
XLogP2.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
1-(2-hydroxyethyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]-1-prop-2-enylurea
CID 111424041
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 929372
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 112825287
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51945486
(3R)-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 95614654
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 56782378
3,4,5-trimethoxy-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1401373

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea (CID 111431679) is 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea is CCC(c1ccccc1)c1nnc(NC(=O)N(C)CCO)s1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is FFYHHTDUCGLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-12(11-7-5-4-6-8-11)13-17-18-14(22-13)16-15(21)19(2)9-10-20/h4-8,12,20H,3,9-10H2,1-2H3,(H,16,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 320.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 111431679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).