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

C17H19N5O2S — CID 11348865

IUPAC1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(CCNC(=O)Nc2nc(C)c(-c3ccncc3)s2)o1
InChIInChI=1S/C17H19N5O2S/c1-3-13-10-20-14(24-13)6-9-19-16(23)22-17-21-11(2)15(25-17)12-4-7-18-8-5-12/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,19,21,22,23)
InChIKeyWNXWSLCNDOLMSV-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.43
Rot. Bonds6

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

1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 11348865) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID11348865
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(CCNC(=O)Nc2nc(C)c(-c3ccncc3)s2)o1
InChIInChI=1S/C17H19N5O2S/c1-3-13-10-20-14(24-13)6-9-19-16(23)22-17-21-11(2)15(25-17)12-4-7-18-8-5-12/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,19,21,22,23)
InChIKeyWNXWSLCNDOLMSV-UHFFFAOYSA-N
XLogP3.43
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
CID 87307750
1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-[5-[2-(3-imidazol-1-ylpropylamino)-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]urea
CID 11202758
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 88996672
1-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-3-ethylurea
CID 22282354
1-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 87292280
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
1-[5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
CID 87307398
1-[2-(5-chloro-1-ethyl-2-methylimidazol-4-yl)ethyl]-3-[4-methyl-5-(2-pyridin-4-ylethynyl)-1,3-thiazol-2-yl]urea
CID 59615739
1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea
CID 88996725
1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea
CID 22970860
1-ethyl-3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]urea
CID 22993717
1-(4-hydroxybutyl)-3-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]urea
CID 11326568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 11348865) is 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea is CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3ccncc3)s2)o1.
What is the InChIKey of 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is WNXWSLCNDOLMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-13-10-20-14(24-13)6-9-19-16(23)22-17-21-11(2)15(25-17)12-4-7-18-8-5-12/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 357.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 11348865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).