1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine

C9H13N5S — CID 66373593

IUPAC1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(-c2csc(C(C)N)n2)n(C)n1
InChIInChI=1S/C9H13N5S/c1-5(10)9-12-7(4-15-9)8-11-6(2)13-14(8)3/h4-5H,10H2,1-3H3
InChIKeyRPDBUIMUPNJFAM-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.27
Rot. Bonds2

About 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine

1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373593) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66373593
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(-c2csc(C(C)N)n2)n(C)n1
InChIInChI=1S/C9H13N5S/c1-5(10)9-12-7(4-15-9)8-11-6(2)13-14(8)3/h4-5H,10H2,1-3H3
InChIKeyRPDBUIMUPNJFAM-UHFFFAOYSA-N
XLogP1.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]guanidine
CID 13100991
4-(4h-1,2,4-Triazol-3-yl)thiazole
CID 69005323
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-Diethyl-1,2,4-triazol-1-yl)methyl]-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71859151
1-butyl-5-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)-1H-1,2,4-triazole
CID 72886790
4-[(5-Tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
CID 75417349
2-[(5-Ethyltetrazol-1-yl)methyl]-4-methyl-1,3-thiazole
CID 75425630
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
(1S)-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 99777505

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine (CID 66373593) is 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine is Cc1nc(-c2csc(C(C)N)n2)n(C)n1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is RPDBUIMUPNJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-5(10)9-12-7(4-15-9)8-11-6(2)13-14(8)3/h4-5H,10H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 223.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).