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

C8H11N5S — CID 103359711

IUPAC5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ncc[nH]1
InChIInChI=1S/C8H11N5S/c1-5-7(9)13-14-8(5)12-4-6-10-2-3-11-6/h2-3,12H,4H2,1H3,(H2,9,13)(H,10,11)
InChIKeyPYTBMZVFGZBSHA-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.37
Rot. Bonds3

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

5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359711) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359711
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ncc[nH]1
InChIInChI=1S/C8H11N5S/c1-5-7(9)13-14-8(5)12-4-6-10-2-3-11-6/h2-3,12H,4H2,1H3,(H2,9,13)(H,10,11)
InChIKeyPYTBMZVFGZBSHA-UHFFFAOYSA-N
XLogP1.37
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-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-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359706
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359286
4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361186
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
1-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2-methylpropan-2-ol
CID 103359829
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359201

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359711) is 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCc1ncc[nH]1.
What is the InChIKey of 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is PYTBMZVFGZBSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-7(9)13-14-8(5)12-4-6-10-2-3-11-6/h2-3,12H,4H2,1H3,(H2,9,13)(H,10,11).
What are the key properties of 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 209.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).