4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide

C10H15N3S2 — CID 82436727

IUPAC4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CSCC)nc1C1CC1
InChIInChI=1S/C10H15N3S2/c1-2-14-5-7-13-8(6-3-4-6)9(15-7)10(11)12/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyKBXVCKPTJGGRFX-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.56
Rot. Bonds5

About 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide

4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82436727) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82436727
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CSCC)nc1C1CC1
InChIInChI=1S/C10H15N3S2/c1-2-14-5-7-13-8(6-3-4-6)9(15-7)10(11)12/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyKBXVCKPTJGGRFX-UHFFFAOYSA-N
XLogP2.56
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide (CID 82436727) is 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CSCC)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is KBXVCKPTJGGRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-2-14-5-7-13-8(6-3-4-6)9(15-7)10(11)12/h6H,2-5H2,1H3,(H3,11,12).
What are the key properties of 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide?
4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82436727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).