1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine

C9H16N4S — CID 63825556

IUPAC1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine
SMILESCC(C)N/C(N)=N/CCc1cscn1
InChIInChI=1S/C9H16N4S/c1-7(2)13-9(10)11-4-3-8-5-14-6-12-8/h5-7H,3-4H2,1-2H3,(H3,10,11,13)
InChIKeyJUMIMQXFNILXRE-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.00
Rot. Bonds4

About 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine

1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 63825556) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID63825556
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine
SMILESCC(C)N/C(N)=N/CCc1cscn1
InChIInChI=1S/C9H16N4S/c1-7(2)13-9(10)11-4-3-8-5-14-6-12-8/h5-7H,3-4H2,1-2H3,(H3,10,11,13)
InChIKeyJUMIMQXFNILXRE-UHFFFAOYSA-N
XLogP1.00
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
1-amino-3-propan-2-yl-2-(1,3-thiazol-4-ylmethyl)guanidine
CID 104886166
2-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propan-2-ylguanidine
CID 106401275
2-methyl-1-(1,3-thiazol-4-ylmethyl)guanidine
CID 62407841
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912022
1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 62363334
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110912189
1-propan-2-yl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110018357
2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-propan-2-ylguanidine
CID 111600500
2-[2-(3,4-diethoxyphenyl)ethyl]-1-propan-2-ylguanidine
CID 111026044
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine (CID 63825556) is 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine is CC(C)N/C(N)=N/CCc1cscn1.
What is the InChIKey of 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is JUMIMQXFNILXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(2)13-9(10)11-4-3-8-5-14-6-12-8/h5-7H,3-4H2,1-2H3,(H3,10,11,13).
What are the key properties of 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine?
1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 212.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 63825556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).