4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine

C8H11N5OS — CID 103359201

IUPAC4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1noc(CNc2snc(N)c2C)n1
InChIInChI=1S/C8H11N5OS/c1-4-7(9)13-15-8(4)10-3-6-11-5(2)12-14-6/h10H,3H2,1-2H3,(H2,9,13)
InChIKeyPOWMSTGGMRQYPD-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.34
Rot. Bonds3

About 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359201) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359201
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1noc(CNc2snc(N)c2C)n1
InChIInChI=1S/C8H11N5OS/c1-4-7(9)13-15-8(4)10-3-6-11-5(2)12-14-6/h10H,3H2,1-2H3,(H2,9,13)
InChIKeyPOWMSTGGMRQYPD-UHFFFAOYSA-N
XLogP1.34
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359286
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 81005936
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103506882
5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359711
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
4-methyl-1-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,3-diamine
CID 62912507
3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103506863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359201) is 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1noc(CNc2snc(N)c2C)n1.
What is the InChIKey of 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is POWMSTGGMRQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-4-7(9)13-15-8(4)10-3-6-11-5(2)12-14-6/h10H,3H2,1-2H3,(H2,9,13).
What are the key properties of 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 225.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).