3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea

C17H17ClN4OS — CID 2729364

IUPAC3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(N(C(=O)Nc2cccc(Cl)c2)C2=NCC(C)S2)c1
InChIInChI=1S/C17H17ClN4OS/c1-11-6-7-19-15(8-11)22(17-20-10-12(2)24-17)16(23)21-14-5-3-4-13(18)9-14/h3-9,12H,10H2,1-2H3,(H,21,23)
InChIKeyOIEHYJANTIXIJG-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.57
Rot. Bonds2

About 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea

3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea (PubChem CID 2729364) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea
PubChem CID2729364
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(N(C(=O)Nc2cccc(Cl)c2)C2=NCC(C)S2)c1
InChIInChI=1S/C17H17ClN4OS/c1-11-6-7-19-15(8-11)22(17-20-10-12(2)24-17)16(23)21-14-5-3-4-13(18)9-14/h3-9,12H,10H2,1-2H3,(H,21,23)
InChIKeyOIEHYJANTIXIJG-UHFFFAOYSA-N
XLogP4.57
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
3-(3-chlorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977204
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-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
3-(3,4-dichlorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 6977195
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 71980948
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 3771432

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea (CID 2729364) is 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea is Cc1ccnc(N(C(=O)Nc2cccc(Cl)c2)C2=NCC(C)S2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea?
The InChIKey is OIEHYJANTIXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-11-6-7-19-15(8-11)22(17-20-10-12(2)24-17)16(23)21-14-5-3-4-13(18)9-14/h3-9,12H,10H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea?
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea has a molecular weight of 360.87 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 2729364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).