2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide

C14H17N3O2S — CID 82425721

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(Cc2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C14H17N3O2S/c1-8-13(14(15)16)20-12(17-8)7-9-4-5-10(18-2)11(6-9)19-3/h4-6H,7H2,1-3H3,(H3,15,16)
InChIKeyLKDNTGPGVXEONU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide

2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide (PubChem CID 82425721) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
PubChem CID82425721
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(Cc2ccc(OC)c(OC)c2)nc1C
InChIInChI=1S/C14H17N3O2S/c1-8-13(14(15)16)20-12(17-8)7-9-4-5-10(18-2)11(6-9)19-3/h4-6H,7H2,1-3H3,(H3,15,16)
InChIKeyLKDNTGPGVXEONU-UHFFFAOYSA-N
XLogP2.34
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.34
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

2-(3,4-diethoxyphenyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427214
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
2-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426922
2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427595
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 71148030
4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboximidamide
CID 82437362
2-benzyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39945126
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
5-(4-ethyl-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 107665144
[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
CID 82436116
2-amino-4-methyl-1,3-thiazole-5-carboximidamide
CID 158488916

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide (CID 82425721) is 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(Cc2ccc(OC)c(OC)c2)nc1C.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide?
The InChIKey is LKDNTGPGVXEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-13(14(15)16)20-12(17-8)7-9-4-5-10(18-2)11(6-9)19-3/h4-6H,7H2,1-3H3,(H3,15,16).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide?
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide has a molecular weight of 291.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82425721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).