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

C14H13N5O2S — CID 11186128

IUPACN-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3)n2)o1
InChIInChI=1S/C14H13N5O2S/c1-8-12(21-13(16-8)17-9(2)20)11-7-22-14(19-11)18-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyUWFVASKXJLWXGN-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.20
Rot. Bonds4

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

N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide (PubChem CID 11186128) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide
PubChem CID11186128
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3)n2)o1
InChIInChI=1S/C14H13N5O2S/c1-8-12(21-13(16-8)17-9(2)20)11-7-22-14(19-11)18-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyUWFVASKXJLWXGN-UHFFFAOYSA-N
XLogP3.20
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide (CID 11186128) is N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3)n2)o1.
What is the InChIKey of N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide?
The InChIKey is UWFVASKXJLWXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-8-12(21-13(16-8)17-9(2)20)11-7-22-14(19-11)18-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide?
N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide has a molecular weight of 315.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-oxazol-2-yl]acetamide is sourced from PubChem (CID 11186128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).