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

C9H13N5S — CID 126842212

IUPAC4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCn1cnnc1NCc1csc(C)n1
InChIInChI=1S/C9H13N5S/c1-3-14-6-11-13-9(14)10-4-8-5-15-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyYCIWDOIBLYTROP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.68
Rot. Bonds4

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

4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 126842212) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID126842212
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCn1cnnc1NCc1csc(C)n1
InChIInChI=1S/C9H13N5S/c1-3-14-6-11-13-9(14)10-4-8-5-15-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyYCIWDOIBLYTROP-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53587788
2-Propyl-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56781100
1-[[2-(Dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 71981676
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50954365
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56706870
4-[(3,5-Dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
CID 71979618
1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77087286
2,5-Dimethyl-N-[(4-methyl-1,3-thiazol-2-YL)methyl]-1,2,4-triazol-3-amine
CID 86795149
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 86795192
1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 97328688
5-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 132383031
3-[(2-Tert-butyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
CID 136540530

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 126842212) is 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine is CCn1cnnc1NCc1csc(C)n1.
What is the InChIKey of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is YCIWDOIBLYTROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-3-14-6-11-13-9(14)10-4-8-5-15-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine?
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 126842212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).