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

C9H11N3S2 — CID 103361186

IUPAC4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccsc1
InChIInChI=1S/C9H11N3S2/c1-6-8(10)12-14-9(6)11-4-7-2-3-13-5-7/h2-3,5,11H,4H2,1H3,(H2,10,12)
InChIKeyNGLGXFSNGOUZDU-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.71
Rot. Bonds3

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

4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361186) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103361186
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccsc1
InChIInChI=1S/C9H11N3S2/c1-6-8(10)12-14-9(6)11-4-7-2-3-13-5-7/h2-3,5,11H,4H2,1H3,(H2,10,12)
InChIKeyNGLGXFSNGOUZDU-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359997
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359201
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
CID 79827377
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
1-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2-methylpropan-2-ol
CID 103359829
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103361186) is 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCc1ccsc1.
What is the InChIKey of 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NGLGXFSNGOUZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-8(10)12-14-9(6)11-4-7-2-3-13-5-7/h2-3,5,11H,4H2,1H3,(H2,10,12).
What are the key properties of 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 225.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).