1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea

C18H18N4O2S — CID 5311698

IUPAC1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
SMILESCC(=O)c1cccc(N(C(=O)Nc2ccncc2)C2=NCC(C)S2)c1
InChIInChI=1S/C18H18N4O2S/c1-12-11-20-18(25-12)22(16-5-3-4-14(10-16)13(2)23)17(24)21-15-6-8-19-9-7-15/h3-10,12H,11H2,1-2H3,(H,19,21,24)
InChIKeyBZWKTQZCWDCUQV-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.81
Rot. Bonds3

About 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea

1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea (PubChem CID 5311698) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
PubChem CID5311698
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
SMILESCC(=O)c1cccc(N(C(=O)Nc2ccncc2)C2=NCC(C)S2)c1
InChIInChI=1S/C18H18N4O2S/c1-12-11-20-18(25-12)22(16-5-3-4-14(10-16)13(2)23)17(24)21-15-6-8-19-9-7-15/h3-10,12H,11H2,1-2H3,(H,19,21,24)
InChIKeyBZWKTQZCWDCUQV-UHFFFAOYSA-N
XLogP3.81
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
CID 3369494
3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
CID 42587045
3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
CID 2346421
3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 7039411
3-methyl-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-methylphenyl)urea
CID 6923867
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea
CID 2729368
3-(3-chlorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977203
3-(3-chlorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977204
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea (CID 5311698) is 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea is CC(=O)c1cccc(N(C(=O)Nc2ccncc2)C2=NCC(C)S2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea?
The InChIKey is BZWKTQZCWDCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-11-20-18(25-12)22(16-5-3-4-14(10-16)13(2)23)17(24)21-15-6-8-19-9-7-15/h3-10,12H,11H2,1-2H3,(H,19,21,24).
What are the key properties of 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea?
1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea has a molecular weight of 354.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea is sourced from PubChem (CID 5311698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).