N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide

C15H17N3OS — CID 65199839

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccc(N)cc2)C2CC2)cs1
InChIInChI=1S/C15H17N3OS/c1-10-17-14(9-20-10)15(19)18(13-6-7-13)8-11-2-4-12(16)5-3-11/h2-5,9,13H,6-8,16H2,1H3
InChIKeyKYKIRHSOQCDWHU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.84
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide

N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65199839) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65199839
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccc(N)cc2)C2CC2)cs1
InChIInChI=1S/C15H17N3OS/c1-10-17-14(9-20-10)15(19)18(13-6-7-13)8-11-2-4-12(16)5-3-11/h2-5,9,13H,6-8,16H2,1H3
InChIKeyKYKIRHSOQCDWHU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618568
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 77059342
2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388889
N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65198822
N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215762
N-ethyl-2-methyl-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 65198571
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943
N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 131941918
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide (CID 65199839) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(Cc2ccc(N)cc2)C2CC2)cs1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KYKIRHSOQCDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-17-14(9-20-10)15(19)18(13-6-7-13)8-11-2-4-12(16)5-3-11/h2-5,9,13H,6-8,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).