2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide

C9H9N3O2S — CID 142785906

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(Cc2ncc(C(N)=O)s2)no1
InChIInChI=1S/C9H9N3O2S/c1-5-2-6(12-14-5)3-8-11-4-7(15-8)9(10)13/h2,4H,3H2,1H3,(H2,10,13)
InChIKeyREMLOWGOFDGWHO-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.13
Rot. Bonds3

About 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 142785906) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID142785906
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(Cc2ncc(C(N)=O)s2)no1
InChIInChI=1S/C9H9N3O2S/c1-5-2-6(12-14-5)3-8-11-4-7(15-8)9(10)13/h2,4H,3H2,1H3,(H2,10,13)
InChIKeyREMLOWGOFDGWHO-UHFFFAOYSA-N
XLogP1.13
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1,3-thiazole-5-carboxamide
CID 137995176
N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 138036974
3-Ethyl-5-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfonylmethyl]-1,2-oxazole
CID 167896105
2-methyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 58201697
3-[2-(2-Methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine
CID 58201726
2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 58297240
2-[3-(1,3-Thiazol-5-yl)-1,2-oxazol-5-yl]ethylcarbamic acid
CID 69189947
5-[1-[3-(1,3-Thiazol-5-yl)propylamino]ethyl]-1,2-oxazole-3-carboxamide
CID 69570555
N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244456
5-Methyl-3-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 91547207
3-(5-Ethyl-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole
CID 123932195
Bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1,3-thiazole
CID 143923976

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide (CID 142785906) is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cc(Cc2ncc(C(N)=O)s2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is REMLOWGOFDGWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-2-6(12-14-5)3-8-11-4-7(15-8)9(10)13/h2,4H,3H2,1H3,(H2,10,13).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142785906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).