4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine

C7H9N5S2 — CID 61468339

IUPAC4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1cscn1
InChIInChI=1S/C7H9N5S2/c1-12-6(8)10-11-7(12)14-3-5-2-13-4-9-5/h2,4H,3H2,1H3,(H2,8,10)
InChIKeyRWLRZNSDOOGVBL-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine

4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine (PubChem CID 61468339) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine
PubChem CID61468339
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1cscn1
InChIInChI=1S/C7H9N5S2/c1-12-6(8)10-11-7(12)14-3-5-2-13-4-9-5/h2,4H,3H2,1H3,(H2,8,10)
InChIKeyRWLRZNSDOOGVBL-UHFFFAOYSA-N
XLogP1.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-bromothiophen-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47059809
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 66188561
4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 55136786
5-(cyclopenten-1-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
CID 130826336
4-methyl-5-(3-methylsulfanylpropylsulfanyl)-1,2,4-triazol-3-amine
CID 115650969
4-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79142963
2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79147482
1,3-thiazol-4-ylmethylsulfanylmethanamine
CID 130369230
2-[4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345180
5-[(2,5-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65317727
5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 47158248
5-[(5-bromo-3-pyridinyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 104797951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine (CID 61468339) is 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCc1cscn1.
What is the InChIKey of 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
The InChIKey is RWLRZNSDOOGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-12-6(8)10-11-7(12)14-3-5-2-13-4-9-5/h2,4H,3H2,1H3,(H2,8,10).
What are the key properties of 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine?
4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine has a molecular weight of 227.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 61468339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).