1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

C17H16N4O2S — CID 56826995

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-10-15(12-4-2-1-3-5-12)19-17(23)18-14-8-6-13(7-9-14)16-11-24-21-20-16/h1-9,11,15,22H,10H2,(H2,18,19,23)/t15-/m1/s1
InChIKeySHHPCZHCMAHYBJ-OAHLLOKOSA-N
MW340.41 g/mol
LogP3.06
Rot. Bonds5

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 56826995) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID56826995
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-10-15(12-4-2-1-3-5-12)19-17(23)18-14-8-6-13(7-9-14)16-11-24-21-20-16/h1-9,11,15,22H,10H2,(H2,18,19,23)/t15-/m1/s1
InChIKeySHHPCZHCMAHYBJ-OAHLLOKOSA-N
XLogP3.06
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
CID 55985453
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726
2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
CID 2739288
1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 2796840
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111103769
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984393

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 56826995) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csnn2)cc1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is SHHPCZHCMAHYBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-10-15(12-4-2-1-3-5-12)19-17(23)18-14-8-6-13(7-9-14)16-11-24-21-20-16/h1-9,11,15,22H,10H2,(H2,18,19,23)/t15-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 340.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 56826995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).