4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline

C14H15N3OS — CID 171644772

IUPAC4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline
SMILES[H]/N=C/c1cc(C2CC2)c(OCc2cscn2)cc1N
InChIInChI=1S/C14H15N3OS/c15-5-10-3-12(9-1-2-9)14(4-13(10)16)18-6-11-7-19-8-17-11/h3-5,7-9,15H,1-2,6,16H2/b15-5+
InChIKeyOJVSEFUWIJYGCY-PJQLUOCWSA-N
MW273.36 g/mol
LogP3.18
Rot. Bonds5

About 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline

4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline (PubChem CID 171644772) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline.

Molecular Properties

Compound Name4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline
PubChem CID171644772
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline
SMILES[H]/N=C/c1cc(C2CC2)c(OCc2cscn2)cc1N
InChIInChI=1S/C14H15N3OS/c15-5-10-3-12(9-1-2-9)14(4-13(10)16)18-6-11-7-19-8-17-11/h3-5,7-9,15H,1-2,6,16H2/b15-5+
InChIKeyOJVSEFUWIJYGCY-PJQLUOCWSA-N
XLogP3.18
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-methanimidoyl-5-(1,2-oxazol-3-ylmethoxy)aniline
CID 171644841
[5-cyclopropyl-1-(4-methylphenyl)sulfonyl-6-(1,3-thiazol-4-ylmethoxy)indol-2-yl]methanol
CID 171519218
N-[[5-cyclopropyl-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]azetidine-1-carboxamide
CID 171518121
5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CID 16769568
2-cyclopropyl-5-fluoro-6-(1,3-thiazol-4-ylmethylsulfonyl)pyridin-3-amine
CID 161105305
(E)-3-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769432
2-methanimidoyl-5-pyrrolidin-1-ylbenzene-1,4-diamine
CID 123347129
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 61269283
5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine
CID 79547929
N-(2-amino-1-cyclopropylethyl)-5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119616375
(6-cyclopropyl-5-methyl-3-pyridinyl)methanimine
CID 126692386
5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 43311669

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline?
The IUPAC name of 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline (CID 171644772) is 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline.
What is the SMILES notation for 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline?
The canonical SMILES for 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline is [H]/N=C/c1cc(C2CC2)c(OCc2cscn2)cc1N.
What is the InChIKey of 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline?
The InChIKey is OJVSEFUWIJYGCY-PJQLUOCWSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-5-10-3-12(9-1-2-9)14(4-13(10)16)18-6-11-7-19-8-17-11/h3-5,7-9,15H,1-2,6,16H2/b15-5+.
What are the key properties of 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline?
4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline has a molecular weight of 273.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methanimidoyl-5-(1,3-thiazol-4-ylmethoxy)aniline is sourced from PubChem (CID 171644772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).