1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea

C17H24N4O2S — CID 111474711

IUPAC1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCCC(O)CNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1
InChIInChI=1S/C17H24N4O2S/c1-4-8-13(22)11-18-15(23)19-16-21-20-14(24-16)17(2,3)12-9-6-5-7-10-12/h5-7,9-10,13,22H,4,8,11H2,1-3H3,(H2,18,19,21,23)
InChIKeyOEAHTPMWDFIEER-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.15
Rot. Bonds7

About 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea

1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 111474711) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID111474711
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCCC(O)CNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1
InChIInChI=1S/C17H24N4O2S/c1-4-8-13(22)11-18-15(23)19-16-21-20-14(24-16)17(2,3)12-9-6-5-7-10-12/h5-7,9-10,13,22H,4,8,11H2,1-3H3,(H2,18,19,21,23)
InChIKeyOEAHTPMWDFIEER-UHFFFAOYSA-N
XLogP3.15
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 111107537
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
1-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-hydroxypentyl)urea
CID 111431681
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 119777277
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 94031299
1-(2-hydroxypentyl)-3-pyridin-4-ylurea
CID 111119369
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 110890926
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119319900
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110890651
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea (CID 111474711) is 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea is CCCC(O)CNC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is OEAHTPMWDFIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-8-13(22)11-18-15(23)19-16-21-20-14(24-16)17(2,3)12-9-6-5-7-10-12/h5-7,9-10,13,22H,4,8,11H2,1-3H3,(H2,18,19,21,23).
What are the key properties of 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 348.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 111474711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).