5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine

C9H12N4OS2 — CID 72874778

IUPAC5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCSCc1nc(CNc2nnc(C)o2)cs1
InChIInChI=1S/C9H12N4OS2/c1-6-12-13-9(14-6)10-3-7-4-16-8(11-7)5-15-2/h4H,3,5H2,1-2H3,(H,10,13)
InChIKeyBGMWWVPKAQJTLQ-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.31
Rot. Bonds5

About 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine

5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72874778) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72874778
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCSCc1nc(CNc2nnc(C)o2)cs1
InChIInChI=1S/C9H12N4OS2/c1-6-12-13-9(14-6)10-3-7-4-16-8(11-7)5-15-2/h4H,3,5H2,1-2H3,(H,10,13)
InChIKeyBGMWWVPKAQJTLQ-UHFFFAOYSA-N
XLogP2.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 72919531
1-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)urea
CID 118766097
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 130678172
1-(6-methyl-1,3-benzodioxol-5-yl)-3-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]urea
CID 72931092
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65132309
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74244576
2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 72859862
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 74235486
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]urea
CID 125176833
1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 50957393
1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172666720

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 72874778) is 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine is CSCc1nc(CNc2nnc(C)o2)cs1.
What is the InChIKey of 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BGMWWVPKAQJTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-6-12-13-9(14-6)10-3-7-4-16-8(11-7)5-15-2/h4H,3,5H2,1-2H3,(H,10,13).
What are the key properties of 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 256.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72874778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).