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

C14H15N3S — CID 82436269

IUPAC4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2cccc(C)c2)nc1C1CC1
InChIInChI=1S/C14H15N3S/c1-8-3-2-4-10(7-8)14-17-11(9-5-6-9)12(18-14)13(15)16/h2-4,7,9H,5-6H2,1H3,(H3,15,16)
InChIKeyYBOMFEYQRXZZTQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.28
Rot. Bonds3

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

4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82436269) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide
PubChem CID82436269
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2cccc(C)c2)nc1C1CC1
InChIInChI=1S/C14H15N3S/c1-8-3-2-4-10(7-8)14-17-11(9-5-6-9)12(18-14)13(15)16/h2-4,7,9H,5-6H2,1H3,(H3,15,16)
InChIKeyYBOMFEYQRXZZTQ-UHFFFAOYSA-N
XLogP3.28
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.28
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 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide (CID 82436269) is 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2cccc(C)c2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is YBOMFEYQRXZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8-3-2-4-10(7-8)14-17-11(9-5-6-9)12(18-14)13(15)16/h2-4,7,9H,5-6H2,1H3,(H3,15,16).
What are the key properties of 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide?
4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 257.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82436269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).