5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C9H11N5O2S — CID 106389790

IUPAC5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2nnc(N)s2)o1
InChIInChI=1S/C9H11N5O2S/c1-4-3-11-7(16-4)5(2)12-6(15)8-13-14-9(10)17-8/h3,5H,1-2H3,(H2,10,14)(H,12,15)
InChIKeyPNZFRZSMXDPAHB-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.91
Rot. Bonds3

About 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106389790) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID106389790
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2nnc(N)s2)o1
InChIInChI=1S/C9H11N5O2S/c1-4-3-11-7(16-4)5(2)12-6(15)8-13-14-9(10)17-8/h3,5H,1-2H3,(H2,10,14)(H,12,15)
InChIKeyPNZFRZSMXDPAHB-UHFFFAOYSA-N
XLogP0.91
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-carboxamide
CID 106387400
2-amino-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389806
5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616077
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624604
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
3-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 114182522
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
2-carbamothioyl-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 114182415
4-amino-1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 114182277

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 106389790) is 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is Cc1cnc(C(C)NC(=O)c2nnc(N)s2)o1.
What is the InChIKey of 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PNZFRZSMXDPAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-4-3-11-7(16-4)5(2)12-6(15)8-13-14-9(10)17-8/h3,5H,1-2H3,(H2,10,14)(H,12,15).
What are the key properties of 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106389790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).