2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide

C14H17N3OS — CID 82432584

IUPAC2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccccc2OC)nc1CCC
InChIInChI=1S/C14H17N3OS/c1-3-6-10-12(13(15)16)19-14(17-10)9-7-4-5-8-11(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H3,15,16)
InChIKeyDFCCYQHHILEIDQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide

2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide (PubChem CID 82432584) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
PubChem CID82432584
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(-c2ccccc2OC)nc1CCC
InChIInChI=1S/C14H17N3OS/c1-3-6-10-12(13(15)16)19-14(17-10)9-7-4-5-8-11(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H3,15,16)
InChIKeyDFCCYQHHILEIDQ-UHFFFAOYSA-N
XLogP3.06
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.06
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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Related Compounds

2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82429979
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
(E)-3-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82432592
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
CID 82440280
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide (CID 82432584) is 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(-c2ccccc2OC)nc1CCC.
What is the InChIKey of 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide?
The InChIKey is DFCCYQHHILEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-6-10-12(13(15)16)19-14(17-10)9-7-4-5-8-11(9)18-2/h4-5,7-8H,3,6H2,1-2H3,(H3,15,16).
What are the key properties of 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide?
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide has a molecular weight of 275.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82432584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).