N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

C7H9N5S — CID 60754232

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1cnnc1CNc1nccs1
InChIInChI=1S/C7H9N5S/c1-12-5-10-11-6(12)4-9-7-8-2-3-13-7/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeyODRNUFQYVWBIMR-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.88
Rot. Bonds3

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 60754232) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID60754232
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1cnnc1CNc1nccs1
InChIInChI=1S/C7H9N5S/c1-12-5-10-11-6(12)4-9-7-8-2-3-13-7/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeyODRNUFQYVWBIMR-UHFFFAOYSA-N
XLogP0.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
4,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 65169645
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117756
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 83088560
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
CID 62117304
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239786
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78955166
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 79048062

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 60754232) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Cn1cnnc1CNc1nccs1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ODRNUFQYVWBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12-5-10-11-6(12)4-9-7-8-2-3-13-7/h2-3,5H,4H2,1H3,(H,8,9).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60754232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).