1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine

C9H15N3S — CID 164660676

IUPAC1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine
SMILESC/N=C(\N)N(C)Cc1ccc(C)s1
InChIInChI=1S/C9H15N3S/c1-7-4-5-8(13-7)6-12(3)9(10)11-2/h4-5H,6H2,1-3H3,(H2,10,11)
InChIKeyKBRXPUIMTFVAJT-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.43
Rot. Bonds2

About 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine

1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine (PubChem CID 164660676) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine
PubChem CID164660676
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine
SMILESC/N=C(\N)N(C)Cc1ccc(C)s1
InChIInChI=1S/C9H15N3S/c1-7-4-5-8(13-7)6-12(3)9(10)11-2/h4-5H,6H2,1-3H3,(H2,10,11)
InChIKeyKBRXPUIMTFVAJT-UHFFFAOYSA-N
XLogP1.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
1-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
CID 119317853
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 62362340
3-(2-aminophenyl)-N-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 120610443
4-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024864
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713261
N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide
CID 56824528
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine (CID 164660676) is 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine is C/N=C(\N)N(C)Cc1ccc(C)s1.
What is the InChIKey of 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine?
The InChIKey is KBRXPUIMTFVAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-4-5-8(13-7)6-12(3)9(10)11-2/h4-5H,6H2,1-3H3,(H2,10,11).
What are the key properties of 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine?
1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine has a molecular weight of 197.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(5-methylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 164660676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).