1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea

C22H18N4OS — CID 35024520

IUPAC1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H18N4OS/c27-21(24-15-18-13-7-8-14-23-18)26-22-25-19(16-9-3-1-4-10-16)20(28-22)17-11-5-2-6-12-17/h1-14H,15H2,(H2,24,25,26,27)
InChIKeyDLNSRTMHBSOEJB-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.19
Rot. Bonds5

About 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea

1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 35024520) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
PubChem CID35024520
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H18N4OS/c27-21(24-15-18-13-7-8-14-23-18)26-22-25-19(16-9-3-1-4-10-16)20(28-22)17-11-5-2-6-12-17/h1-14H,15H2,(H2,24,25,26,27)
InChIKeyDLNSRTMHBSOEJB-UHFFFAOYSA-N
XLogP5.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
CID 10691756
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
2-(benzenesulfonyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)acetamide
CID 18573228
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2481015
1-ethyl-3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]urea
CID 22993717
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea (CID 35024520) is 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is DLNSRTMHBSOEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(24-15-18-13-7-8-14-23-18)26-22-25-19(16-9-3-1-4-10-16)20(28-22)17-11-5-2-6-12-17/h1-14H,15H2,(H2,24,25,26,27).
What are the key properties of 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea?
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 386.48 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 35024520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).