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

C14H12N4O2S — CID 71461240

IUPACN-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(-c3cccnc3)o2)s1
InChIInChI=1S/C14H12N4O2S/c1-8-12(21-14(17-8)18-9(2)19)11-7-16-13(20-11)10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyQVDJLIIRGGPQQJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.13
Rot. Bonds3

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

N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 71461240) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID71461240
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(-c3cccnc3)o2)s1
InChIInChI=1S/C14H12N4O2S/c1-8-12(21-14(17-8)18-9(2)19)11-7-16-13(20-11)10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyQVDJLIIRGGPQQJ-UHFFFAOYSA-N
XLogP3.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(5-oxo-1-((5-(trifluoromethyl)furan-2-yl)methyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481269
5-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2463698
N-[5-[2-[(6-chloro-3-pyridinyl)amino]-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 71450453
N-[4-methyl-5-(2-pyridin-3-ylsulfanyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 71452282
N-[4-methyl-5-(2-pyridin-3-yloxy-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 71455817
N-[4-methyl-5-[2-(pyridin-3-ylmethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 71457608
N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 71459503
N-[4-(1,3-oxazol-5-yl)phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 137657033
N-(4-methyl-1,3-thiazol-2-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1263196
N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10715047
1-(Furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406734
Tert-butyl 2-(6-(benzo[d]thiazol-6-ylamino)-4-(isopropylamino)pyridin-3-yl)-5-methyloxazol-4-ylcarbamate
CID 89689645

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 71461240) is N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(-c3cccnc3)o2)s1.
What is the InChIKey of N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QVDJLIIRGGPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-12(21-14(17-8)18-9(2)19)11-7-16-13(20-11)10-4-3-5-15-6-10/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 300.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71461240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).