5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C8H11N5S2 — CID 103359706

IUPAC5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCc1ncc[nH]1
InChIInChI=1S/C8H11N5S2/c1-14-6-7(9)13-15-8(6)12-4-5-10-2-3-11-5/h2-3,12H,4H2,1H3,(H2,9,13)(H,10,11)
InChIKeyYNULXESDZWZYMX-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.78
Rot. Bonds4

About 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359706) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359706
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCc1ncc[nH]1
InChIInChI=1S/C8H11N5S2/c1-14-6-7(9)13-15-8(6)12-4-5-10-2-3-11-5/h2-3,12H,4H2,1H3,(H2,9,13)(H,10,11)
InChIKeyYNULXESDZWZYMX-UHFFFAOYSA-N
XLogP1.78
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-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

5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359711
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
5-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359163
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364900
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
5-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103366044
3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 64547692
4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359997
5-N-(1H-imidazol-2-ylmethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018516
5-N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360203

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359706) is 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCc1ncc[nH]1.
What is the InChIKey of 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is YNULXESDZWZYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-14-6-7(9)13-15-8(6)12-4-5-10-2-3-11-5/h2-3,12H,4H2,1H3,(H2,9,13)(H,10,11).
What are the key properties of 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 241.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).