N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide

C9H11N5O2S — CID 102790600

IUPACN-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2c(C)nsc2NC)n1
InChIInChI=1S/C9H11N5O2S/c1-4-5(9(11-3)17-14-4)8-12-6(13-16-8)7(15)10-2/h11H,1-3H3,(H,10,15)
InChIKeyFVVWHQVZKAOEKQ-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790600) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790600
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2c(C)nsc2NC)n1
InChIInChI=1S/C9H11N5O2S/c1-4-5(9(11-3)17-14-4)8-12-6(13-16-8)7(15)10-2/h11H,1-3H3,(H,10,15)
InChIKeyFVVWHQVZKAOEKQ-UHFFFAOYSA-N
XLogP0.90
TPSA92.94 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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79391874
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 102926552
3-[5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921085
N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79391131
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 103442639
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 115335854
N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790656
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392299
4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 116703073
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107923395
N,3-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-thiazol-5-amine
CID 130676274

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide (CID 102790600) is N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(-c2c(C)nsc2NC)n1.
What is the InChIKey of N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FVVWHQVZKAOEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-4-5(9(11-3)17-14-4)8-12-6(13-16-8)7(15)10-2/h11H,1-3H3,(H,10,15).
What are the key properties of N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).