1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea

C18H12ClN5O2S — CID 143518226

IUPAC1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)Nc1cnns1
InChIInChI=1S/C18H12ClN5O2S/c19-15-6-3-12(17-20-7-8-26-17)9-14(15)11-1-4-13(5-2-11)22-18(25)23-16-10-21-24-27-16/h1-10H,(H2,22,23,25)
InChIKeyTWUFIXGQNHVYRE-UHFFFAOYSA-N
MW397.85 g/mol
LogP5.16
Rot. Bonds4

About 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea

1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea (PubChem CID 143518226) has the molecular formula C18H12ClN5O2S and a molecular weight of 397.85 g/mol. Its IUPAC name is 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea
PubChem CID143518226
Molecular FormulaC18H12ClN5O2S
Molecular Weight397.85 g/mol
Exact Mass397.04
IUPAC Name1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)Nc1cnns1
InChIInChI=1S/C18H12ClN5O2S/c19-15-6-3-12(17-20-7-8-26-17)9-14(15)11-1-4-13(5-2-11)22-18(25)23-16-10-21-24-27-16/h1-10H,(H2,22,23,25)
InChIKeyTWUFIXGQNHVYRE-UHFFFAOYSA-N
XLogP5.16
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.85
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide;hydrochloride
CID 24776094
1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
CID 90028590
2-methyl-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]propanamide
CID 59002699
3,5-dichloro-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
CID 114913171
2-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]benzamide
CID 173155107
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
CID 103282570
3-[4-(thiadiazol-5-ylcarbamoylamino)phenyl]propanoic acid
CID 114913273
(E)-3-[4-(thiadiazol-5-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 114913075
5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114911491
1-(3-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11195761

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea (CID 143518226) is 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea is O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)Nc1cnns1.
What is the InChIKey of 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea?
The InChIKey is TWUFIXGQNHVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2S/c19-15-6-3-12(17-20-7-8-26-17)9-14(15)11-1-4-13(5-2-11)22-18(25)23-16-10-21-24-27-16/h1-10H,(H2,22,23,25).
What are the key properties of 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea?
1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea has a molecular weight of 397.85 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 143518226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).