1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea

C18H20N4OS — CID 912947

IUPAC1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea
SMILESCc1ccnc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1
InChIInChI=1S/C18H20N4OS/c1-13-9-10-19-15(11-13)22(17-20-12-18(2,3)24-17)16(23)21-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZSAQGMLWYQDSOD-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.31
Rot. Bonds2

About 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea

1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea (PubChem CID 912947) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea
PubChem CID912947
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea
SMILESCc1ccnc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1
InChIInChI=1S/C18H20N4OS/c1-13-9-10-19-15(11-13)22(17-20-12-18(2,3)24-17)16(23)21-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyZSAQGMLWYQDSOD-UHFFFAOYSA-N
XLogP4.31
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenyl-N'-2-pyridinylurea
CID 221427
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
2-((4-Oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-phenylpyridin-2-yl)acetamide
CID 71601111
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide
CID 71601251
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
Piperazine-1-carboxamide, 4
CID 2741409
1-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]urea
CID 24768279
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea
CID 708785
1-(4-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 708788
1-(3-Fluorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 808376

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea (CID 912947) is 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea is Cc1ccnc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1.
What is the InChIKey of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea?
The InChIKey is ZSAQGMLWYQDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-9-10-19-15(11-13)22(17-20-12-18(2,3)24-17)16(23)21-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea?
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea has a molecular weight of 340.45 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)-3-phenylurea is sourced from PubChem (CID 912947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).