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

C15H17N3O2S — CID 82437362

IUPAC4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1
InChIInChI=1S/C15H17N3O2S/c1-19-10-6-5-9(7-11(10)20-2)15-18-12(8-3-4-8)13(21-15)14(16)17/h5-8H,3-4H2,1-2H3,(H3,16,17)
InChIKeyQCKZFVAPEXICNH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.99
Rot. Bonds5

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

4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82437362) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
PubChem CID82437362
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1
InChIInChI=1S/C15H17N3O2S/c1-19-10-6-5-9(7-11(10)20-2)15-18-12(8-3-4-8)13(21-15)14(16)17/h5-8H,3-4H2,1-2H3,(H3,16,17)
InChIKeyQCKZFVAPEXICNH-UHFFFAOYSA-N
XLogP2.99
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide
CID 82436269
1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437361
2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427214
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
CID 82436727
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42534442
4-cyclopropyl-2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-5-carboximidamide
CID 82436538
4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82436415
6-cyclopentyl-5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 90833965
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide (CID 82437362) is 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is QCKZFVAPEXICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-19-10-6-5-9(7-11(10)20-2)15-18-12(8-3-4-8)13(21-15)14(16)17/h5-8H,3-4H2,1-2H3,(H3,16,17).
What are the key properties of 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide?
4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 303.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82437362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).