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

C14H15N3OS — CID 82436415

IUPAC4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(COc2ccccc2)nc1C1CC1
InChIInChI=1S/C14H15N3OS/c15-14(16)13-12(9-6-7-9)17-11(19-13)8-18-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H3,15,16)
InChIKeyKRLIQZAQPZUSDI-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.88
Rot. Bonds5

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

4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82436415) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82436415
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(COc2ccccc2)nc1C1CC1
InChIInChI=1S/C14H15N3OS/c15-14(16)13-12(9-6-7-9)17-11(19-13)8-18-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H3,15,16)
InChIKeyKRLIQZAQPZUSDI-UHFFFAOYSA-N
XLogP2.88
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.88
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-cyclopropyl-2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-5-carboximidamide
CID 82436538
4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
CID 82436727
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
2,4-dicyclopropyl-1,3-thiazole-5-carboximidamide
CID 82436892
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
2-[(2-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431812
4-cyclopropyl-2-(3-methylphenyl)-1,3-thiazole-5-carboximidamide
CID 82436269
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide (CID 82436415) is 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(COc2ccccc2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is KRLIQZAQPZUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-14(16)13-12(9-6-7-9)17-11(19-13)8-18-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H3,15,16).
What are the key properties of 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide?
4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 273.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82436415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).