2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine

C10H13N3S — CID 111849920

IUPAC2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
SMILESC#CCN/C(=N\C)NCc1ccsc1
InChIInChI=1S/C10H13N3S/c1-3-5-12-10(11-2)13-7-9-4-6-14-8-9/h1,4,6,8H,5,7H2,2H3,(H2,11,12,13)
InChIKeySHKILKSTYAQHQF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine

2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine (PubChem CID 111849920) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
PubChem CID111849920
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
SMILESC#CCN/C(=N\C)NCc1ccsc1
InChIInChI=1S/C10H13N3S/c1-3-5-12-10(11-2)13-7-9-4-6-14-8-9/h1,4,6,8H,5,7H2,2H3,(H2,11,12,13)
InChIKeySHKILKSTYAQHQF-UHFFFAOYSA-N
XLogP1.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111130694
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111181367
1-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111941325
1-[(2-ethylphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111635808
2-methyl-1-(pyridin-2-ylmethyl)-3-(thiophen-3-ylmethyl)guanidine
CID 110967834
1-butan-2-yl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 110943272
2-methyl-N-[2-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111928493
2-methyl-1-[2-(4-methylphenyl)ethyl]-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111601790
2,2-dimethyl-N-[2-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111941165
1-[3-(dimethylamino)propyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940580
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111196680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine (CID 111849920) is 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine is C#CCN/C(=N\C)NCc1ccsc1.
What is the InChIKey of 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine?
The InChIKey is SHKILKSTYAQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-5-12-10(11-2)13-7-9-4-6-14-8-9/h1,4,6,8H,5,7H2,2H3,(H2,11,12,13).
What are the key properties of 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine?
2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine has a molecular weight of 207.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 111849920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).