CID 69258575

C12H12KN2OS — CID 69258575

IUPAC—
SMILESCN(Cc1ccccn1)C(=O)c1cccs1.[K]
InChIInChI=1S/C12H12N2OS.K/c1-14(9-10-5-2-3-7-13-10)12(15)11-6-4-8-16-11;/h2-8H,9H2,1H3;
InChIKeyRJKJAIFRZMERSO-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.03
Rot. Bonds3

About CID 69258575

CID 69258575 (PubChem CID 69258575) has the molecular formula C12H12KN2OS and a molecular weight of 271.41 g/mol.

Molecular Properties

Compound NameCID 69258575
PubChem CID69258575
Molecular FormulaC12H12KN2OS
Molecular Weight271.41 g/mol
Exact Mass271.03
IUPAC Name—
SMILESCN(Cc1ccccn1)C(=O)c1cccs1.[K]
InChIInChI=1S/C12H12N2OS.K/c1-14(9-10-5-2-3-7-13-10)12(15)11-6-4-8-16-11;/h2-8H,9H2,1H3;
InChIKeyRJKJAIFRZMERSO-UHFFFAOYSA-N
XLogP2.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 46961978
[bis(pyridin-2-ylmethyl)amino]methyl thiophene-2-carboxylate
CID 174963457
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 40519391
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 40519152
3-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 126798321
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283

Frequently Asked Questions

What is the IUPAC name of CID 69258575?
The IUPAC name of CID 69258575 (CID 69258575) is not available.
What is the SMILES notation for CID 69258575?
The canonical SMILES for CID 69258575 is CN(Cc1ccccn1)C(=O)c1cccs1.[K].
What is the InChIKey of CID 69258575?
The InChIKey is RJKJAIFRZMERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS.K/c1-14(9-10-5-2-3-7-13-10)12(15)11-6-4-8-16-11;/h2-8H,9H2,1H3;.
What are the key properties of CID 69258575?
CID 69258575 has a molecular weight of 271.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69258575 is sourced from PubChem (CID 69258575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).