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

C15H15N5O2S — CID 87044624

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCc1nc(CNC(=O)Nc2nc(-c3cccnc3)cs2)oc1C
InChIInChI=1S/C15H15N5O2S/c1-9-10(2)22-13(18-9)7-17-14(21)20-15-19-12(8-23-15)11-4-3-5-16-6-11/h3-6,8H,7H2,1-2H3,(H2,17,19,20,21)
InChIKeyNXZHIIRHVXUIDO-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.13
Rot. Bonds4

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 87044624) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID87044624
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCc1nc(CNC(=O)Nc2nc(-c3cccnc3)cs2)oc1C
InChIInChI=1S/C15H15N5O2S/c1-9-10(2)22-13(18-9)7-17-14(21)20-15-19-12(8-23-15)11-4-3-5-16-6-11/h3-6,8H,7H2,1-2H3,(H2,17,19,20,21)
InChIKeyNXZHIIRHVXUIDO-UHFFFAOYSA-N
XLogP3.13
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

2-Amino-5-thio-substituted thiazole 47
CID 5329674
2-Aminothiazole 3
CID 5329722
1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-yl-1,3-oxazol-4-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 162744021
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]acetamide
CID 9847147
1-[5-[2-[2-(Diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
CID 11156310
N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide
CID 11186128
1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-[4-methyl-5-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)-thiazol-2-yl]-urea
CID 11189294
1-[5-[2-[2-(Dimethylamino)ethyl-ethylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
CID 11190963
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
1-[5-[2-[2-(Dimethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
CID 11397319
1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-[5-(2-methoxy-6-methyl-pyrimidin-4-yl)-4-methyl-thiazol-2-yl]-urea
CID 11406981
1-[5-(2-Dimethylamino-6-methyl-pyrimidin-4-yl)-4-methyl-thiazol-2-yl]-3-[2-(5-ethyl-oxazol-2-yl)-ethyl]-urea
CID 11407355

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 87044624) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is Cc1nc(CNC(=O)Nc2nc(-c3cccnc3)cs2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is NXZHIIRHVXUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-10(2)22-13(18-9)7-17-14(21)20-15-19-12(8-23-15)11-4-3-5-16-6-11/h3-6,8H,7H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 329.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87044624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).