N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C18H16N6OS — CID 47037231

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESN#Cc1cccnc1NCCNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H16N6OS/c19-11-13-4-3-7-22-17(13)23-9-8-21-16(25)10-14-12-26-18(24-14)15-5-1-2-6-20-15/h1-7,12H,8-10H2,(H,21,25)(H,22,23)
InChIKeyCEJZVHHKIQVPSW-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.24
Rot. Bonds7

About N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 47037231) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID47037231
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESN#Cc1cccnc1NCCNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H16N6OS/c19-11-13-4-3-7-22-17(13)23-9-8-21-16(25)10-14-12-26-18(24-14)15-5-1-2-6-20-15/h1-7,12H,8-10H2,(H,21,25)(H,22,23)
InChIKeyCEJZVHHKIQVPSW-UHFFFAOYSA-N
XLogP2.24
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122144115
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
N-[(2-hydroxycyclopentyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111464114

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 47037231) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is N#Cc1cccnc1NCCNC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CEJZVHHKIQVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c19-11-13-4-3-7-22-17(13)23-9-8-21-16(25)10-14-12-26-18(24-14)15-5-1-2-6-20-15/h1-7,12H,8-10H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47037231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).