4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

C12H15N7S2 — CID 103349109

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC(C)c2nncn2C)n1
InChIInChI=1S/C12H15N7S2/c1-6-4-20-11(15-6)8-9(13)18-21-12(8)16-7(2)10-17-14-5-19(10)3/h4-5,7,16H,1-3H3,(H2,13,18)
InChIKeyJKMKJASUFXZJAM-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.46
Rot. Bonds4

About 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349109) has the molecular formula C12H15N7S2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103349109
Molecular FormulaC12H15N7S2
Molecular Weight321.44 g/mol
Exact Mass321.08
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC(C)c2nncn2C)n1
InChIInChI=1S/C12H15N7S2/c1-6-4-20-11(15-6)8-9(13)18-21-12(8)16-7(2)10-17-14-5-19(10)3/h4-5,7,16H,1-3H3,(H2,13,18)
InChIKeyJKMKJASUFXZJAM-UHFFFAOYSA-N
XLogP2.46
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine 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

4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103379888
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1-phenylethyl)-1,2-thiazole-3,5-diamine
CID 103349504
4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106218870
5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349113
5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348980
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
5-N-hexan-3-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349107
3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 79376415
5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349814
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103349109) is 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NC(C)c2nncn2C)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is JKMKJASUFXZJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S2/c1-6-4-20-11(15-6)8-9(13)18-21-12(8)16-7(2)10-17-14-5-19(10)3/h4-5,7,16H,1-3H3,(H2,13,18).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 321.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).