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

C8H12N6OS — CID 103378191

IUPAC4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1nncn1C
InChIInChI=1S/C8H12N6OS/c1-14-4-11-12-5(14)3-10-8-6(15-2)7(9)13-16-8/h4,10H,3H2,1-2H3,(H2,9,13)
InChIKeyRSFVJMRGISYMMI-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.47
Rot. Bonds4

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

4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103378191) has the molecular formula C8H12N6OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103378191
Molecular FormulaC8H12N6OS
Molecular Weight240.29 g/mol
Exact Mass240.08
IUPAC Name4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1nncn1C
InChIInChI=1S/C8H12N6OS/c1-14-4-11-12-5(14)3-10-8-6(15-2)7(9)13-16-8/h4,10H,3H2,1-2H3,(H2,9,13)
InChIKeyRSFVJMRGISYMMI-UHFFFAOYSA-N
XLogP0.47
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359144
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 114140206
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
3-amino-N-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380246
1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66012067
3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276447
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103378191) is 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCc1nncn1C.
What is the InChIKey of 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is RSFVJMRGISYMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6OS/c1-14-4-11-12-5(14)3-10-8-6(15-2)7(9)13-16-8/h4,10H,3H2,1-2H3,(H2,9,13).
What are the key properties of 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 240.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).