1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea

C19H14N4OS2 — CID 13089293

IUPAC1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)cs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N4OS2/c24-17(22-18-20-15(11-25-18)13-7-3-1-4-8-13)23-19-21-16(12-26-19)14-9-5-2-6-10-14/h1-12H,(H2,20,21,22,23,24)
InChIKeySNRLIFHILWTKQF-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.58
Rot. Bonds4

About 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 13089293) has the molecular formula C19H14N4OS2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID13089293
Molecular FormulaC19H14N4OS2
Molecular Weight378.48 g/mol
Exact Mass378.06
IUPAC Name1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)cs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N4OS2/c24-17(22-18-20-15(11-25-18)13-7-3-1-4-8-13)23-19-21-16(12-26-19)14-9-5-2-6-10-14/h1-12H,(H2,20,21,22,23,24)
InChIKeySNRLIFHILWTKQF-UHFFFAOYSA-N
XLogP5.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771890
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea (CID 13089293) is 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1nc(-c2ccccc2)cs1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is SNRLIFHILWTKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS2/c24-17(22-18-20-15(11-25-18)13-7-3-1-4-8-13)23-19-21-16(12-26-19)14-9-5-2-6-10-14/h1-12H,(H2,20,21,22,23,24).
What are the key properties of 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea?
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 378.48 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 13089293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).