1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide

C15H17N3OS — CID 115913584

IUPAC1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H17N3OS/c1-18(8-13-9-20-10-17-13)14(19)15(6-7-15)11-2-4-12(16)5-3-11/h2-5,9-10H,6-8,16H2,1H3
InChIKeyXLTRMZKKVFUUEY-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 115913584) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID115913584
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H17N3OS/c1-18(8-13-9-20-10-17-13)14(19)15(6-7-15)11-2-4-12(16)5-3-11/h2-5,9-10H,6-8,16H2,1H3
InChIKeyXLTRMZKKVFUUEY-UHFFFAOYSA-N
XLogP2.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 75495083
5-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 63118342
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 83071366
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide (CID 115913584) is 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1cscn1)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is XLTRMZKKVFUUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-18(8-13-9-20-10-17-13)14(19)15(6-7-15)11-2-4-12(16)5-3-11/h2-5,9-10H,6-8,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).