N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide

C24H21N3OS2 — CID 59160851

IUPACN-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
SMILESCc1ccc(-c2ccc(N)c(NC(=O)c3ccc(C4(c5nccs5)CC4)cc3)c2)s1
InChIInChI=1S/C24H21N3OS2/c1-15-2-9-21(30-15)17-5-8-19(25)20(14-17)27-22(28)16-3-6-18(7-4-16)24(10-11-24)23-26-12-13-29-23/h2-9,12-14H,10-11,25H2,1H3,(H,27,28)
InChIKeyUFDIYYNKBFQISC-UHFFFAOYSA-N
MW431.59 g/mol
LogP6.09
Rot. Bonds5

About N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide

N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide (PubChem CID 59160851) has the molecular formula C24H21N3OS2 and a molecular weight of 431.59 g/mol. Its IUPAC name is N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
PubChem CID59160851
Molecular FormulaC24H21N3OS2
Molecular Weight431.59 g/mol
Exact Mass431.11
IUPAC NameN-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
SMILESCc1ccc(-c2ccc(N)c(NC(=O)c3ccc(C4(c5nccs5)CC4)cc3)c2)s1
InChIInChI=1S/C24H21N3OS2/c1-15-2-9-21(30-15)17-5-8-19(25)20(14-17)27-22(28)16-3-6-18(7-4-16)24(10-11-24)23-26-12-13-29-23/h2-9,12-14H,10-11,25H2,1H3,(H,27,28)
InChIKeyUFDIYYNKBFQISC-UHFFFAOYSA-N
XLogP6.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.59
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The IUPAC name of N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide (CID 59160851) is N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The canonical SMILES for N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide is Cc1ccc(-c2ccc(N)c(NC(=O)c3ccc(C4(c5nccs5)CC4)cc3)c2)s1.
What is the InChIKey of N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The InChIKey is UFDIYYNKBFQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS2/c1-15-2-9-21(30-15)17-5-8-19(25)20(14-17)27-22(28)16-3-6-18(7-4-16)24(10-11-24)23-26-12-13-29-23/h2-9,12-14H,10-11,25H2,1H3,(H,27,28).
What are the key properties of N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide has a molecular weight of 431.59 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(5-methylthiophen-2-yl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 59160851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).