1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea

C18H18N4OS — CID 56824094

IUPAC1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccnc1
InChIInChI=1S/C18H18N4OS/c1-13-16(24-17(22-13)15-7-3-2-4-8-15)12-21-18(23)20-11-14-6-5-9-19-10-14/h2-10H,11-12H2,1H3,(H2,20,21,23)
InChIKeyFIYNUNHDTRWMQR-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.51
Rot. Bonds5

About 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea

1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 56824094) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID56824094
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccnc1
InChIInChI=1S/C18H18N4OS/c1-13-16(24-17(22-13)15-7-3-2-4-8-15)12-21-18(23)20-11-14-6-5-9-19-10-14/h2-10H,11-12H2,1H3,(H2,20,21,23)
InChIKeyFIYNUNHDTRWMQR-UHFFFAOYSA-N
XLogP3.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
CID 121122040
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122163
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea (CID 56824094) is 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea is Cc1nc(-c2ccccc2)sc1CNC(=O)NCc1cccnc1.
What is the InChIKey of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is FIYNUNHDTRWMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13-16(24-17(22-13)15-7-3-2-4-8-15)12-21-18(23)20-11-14-6-5-9-19-10-14/h2-10H,11-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 338.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 56824094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).