N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine

C7H9N5S — CID 112596470

IUPACN,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cscn2)n1C
InChIInChI=1S/C7H9N5S/c1-8-7-11-10-6(12(7)2)5-3-13-4-9-5/h3-4H,1-2H3,(H,8,11)
InChIKeyBWMSHHPSFNHKRQ-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.98
Rot. Bonds2

About N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine (PubChem CID 112596470) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
PubChem CID112596470
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC NameN,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cscn2)n1C
InChIInChI=1S/C7H9N5S/c1-8-7-11-10-6(12(7)2)5-3-13-4-9-5/h3-4H,1-2H3,(H,8,11)
InChIKeyBWMSHHPSFNHKRQ-UHFFFAOYSA-N
XLogP0.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine (CID 112596470) is N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine is CNc1nnc(-c2cscn2)n1C.
What is the InChIKey of N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is BWMSHHPSFNHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-8-7-11-10-6(12(7)2)5-3-13-4-9-5/h3-4H,1-2H3,(H,8,11).
What are the key properties of N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 195.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).