2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide

C10H13N3S — CID 82436892

IUPAC2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(C2CC2)nc1C1CC1
InChIInChI=1S/C10H13N3S/c11-9(12)8-7(5-1-2-5)13-10(14-8)6-3-4-6/h5-6H,1-4H2,(H3,11,12)
InChIKeyXDAOCNUULWVTFO-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.18
Rot. Bonds3

About 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide

2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide (PubChem CID 82436892) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide
PubChem CID82436892
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(C2CC2)nc1C1CC1
InChIInChI=1S/C10H13N3S/c11-9(12)8-7(5-1-2-5)13-10(14-8)6-3-4-6/h5-6H,1-4H2,(H3,11,12)
InChIKeyXDAOCNUULWVTFO-UHFFFAOYSA-N
XLogP2.18
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide (CID 82436892) is 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(C2CC2)nc1C1CC1.
What is the InChIKey of 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide?
The InChIKey is XDAOCNUULWVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c11-9(12)8-7(5-1-2-5)13-10(14-8)6-3-4-6/h5-6H,1-4H2,(H3,11,12).
What are the key properties of 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide?
2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide has a molecular weight of 207.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82436892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).