5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine

C11H13N3S — CID 103363458

IUPAC5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccccc1
InChIInChI=1S/C11H13N3S/c1-8-10(12)14-15-11(8)13-7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H2,12,14)
InChIKeyKWTXJVZFGQXBSW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.65
Rot. Bonds3

About 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine

5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103363458) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103363458
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccccc1
InChIInChI=1S/C11H13N3S/c1-8-10(12)14-15-11(8)13-7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H2,12,14)
InChIKeyKWTXJVZFGQXBSW-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361186
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359286
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 114165618
5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359711
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
1-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2-methylpropan-2-ol
CID 103359829
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359201
5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine (CID 103363458) is 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCc1ccccc1.
What is the InChIKey of 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is KWTXJVZFGQXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-10(12)14-15-11(8)13-7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H2,12,14).
What are the key properties of 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine?
5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 219.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).