N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide

C24H21N5O2S — CID 73348992

IUPACN-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
SMILESNc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cc1
InChIInChI=1S/C24H21N5O2S/c25-20-8-6-18(7-9-20)21-14-27-24(32-21)28-22(30)16-29(15-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h1-14H,15-16,25H2,(H,27,28,30)
InChIKeyMDHMYNMBYCVKJC-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.07
Rot. Bonds7

About N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide

N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide (PubChem CID 73348992) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
PubChem CID73348992
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
SMILESNc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cc1
InChIInChI=1S/C24H21N5O2S/c25-20-8-6-18(7-9-20)21-14-27-24(32-21)28-22(30)16-29(15-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h1-14H,15-16,25H2,(H,27,28,30)
InChIKeyMDHMYNMBYCVKJC-UHFFFAOYSA-N
XLogP4.07
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The IUPAC name of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide (CID 73348992) is N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide is Nc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cc1.
What is the InChIKey of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The InChIKey is MDHMYNMBYCVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c25-20-8-6-18(7-9-20)21-14-27-24(32-21)28-22(30)16-29(15-17-4-2-1-3-5-17)23(31)19-10-12-26-13-11-19/h1-14H,15-16,25H2,(H,27,28,30).
What are the key properties of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide is sourced from PubChem (CID 73348992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).