1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine

C8H14N4S — CID 64872450

IUPAC1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
SMILESCC(Cc1ccsc1)/N=C(\N)NN
InChIInChI=1S/C8H14N4S/c1-6(11-8(9)12-10)4-7-2-3-13-5-7/h2-3,5-6H,4,10H2,1H3,(H3,9,11,12)
InChIKeyCJOMCURJFTYQKK-UHFFFAOYSA-N
MW198.30 g/mol
LogP0.46
Rot. Bonds3

About 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine

1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine (PubChem CID 64872450) has the molecular formula C8H14N4S and a molecular weight of 198.30 g/mol. Its IUPAC name is 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
PubChem CID64872450
Molecular FormulaC8H14N4S
Molecular Weight198.30 g/mol
Exact Mass198.09
IUPAC Name1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
SMILESCC(Cc1ccsc1)/N=C(\N)NN
InChIInChI=1S/C8H14N4S/c1-6(11-8(9)12-10)4-7-2-3-13-5-7/h2-3,5-6H,4,10H2,1H3,(H3,9,11,12)
InChIKeyCJOMCURJFTYQKK-UHFFFAOYSA-N
XLogP0.46
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 62482918
N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide
CID 61361495
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine (CID 64872450) is 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine is CC(Cc1ccsc1)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine?
The InChIKey is CJOMCURJFTYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6(11-8(9)12-10)4-7-2-3-13-5-7/h2-3,5-6H,4,10H2,1H3,(H3,9,11,12).
What are the key properties of 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine?
1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine has a molecular weight of 198.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine is sourced from PubChem (CID 64872450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).