N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide

C14H11N3OS — CID 9101394

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H11N3OS/c1-17-8-9-19-14(17)16-13(18)12-7-6-10-4-2-3-5-11(10)15-12/h2-9H,1H3/b16-14-
InChIKeyZUZCDCJVLNAYKS-PEZBUJJGSA-N
MW269.33 g/mol
LogP2.38
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide (PubChem CID 9101394) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
PubChem CID9101394
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H11N3OS/c1-17-8-9-19-14(17)16-13(18)12-7-6-10-4-2-3-5-11(10)15-12/h2-9H,1H3/b16-14-
InChIKeyZUZCDCJVLNAYKS-PEZBUJJGSA-N
XLogP2.38
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide (CID 9101394) is N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide is Cn1ccs/c1=N\C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide?
The InChIKey is ZUZCDCJVLNAYKS-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-17-8-9-19-14(17)16-13(18)12-7-6-10-4-2-3-5-11(10)15-12/h2-9H,1H3/b16-14-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide is sourced from PubChem (CID 9101394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).