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

C9H15N3OS — CID 82440152

IUPAC4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCC)nc1COC
InChIInChI=1S/C9H15N3OS/c1-3-4-7-12-6(5-13-2)8(14-7)9(10)11/h3-5H2,1-2H3,(H3,10,11)
InChIKeyNRJAMQMDFBEGFY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.53
Rot. Bonds5

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

4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide (PubChem CID 82440152) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
PubChem CID82440152
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCC)nc1COC
InChIInChI=1S/C9H15N3OS/c1-3-4-7-12-6(5-13-2)8(14-7)9(10)11/h3-5H2,1-2H3,(H3,10,11)
InChIKeyNRJAMQMDFBEGFY-UHFFFAOYSA-N
XLogP1.53
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.53
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

4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide
CID 82440750
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82433107
4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
CID 82441680
2-(cyclohexylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82440707
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
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
CID 82440280
4-ethyl-2-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboximidamide
CID 82429750
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboximidamide
CID 82441854
2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carbohydrazide
CID 82440072

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide (CID 82440152) is 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCC)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide?
The InChIKey is NRJAMQMDFBEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-4-7-12-6(5-13-2)8(14-7)9(10)11/h3-5H2,1-2H3,(H3,10,11).
What are the key properties of 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide?
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide has a molecular weight of 213.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82440152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).