N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide

C15H12N4OS — CID 90603505

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ncc(C#N)s2)c2ccccc21
InChIInChI=1S/C15H12N4OS/c1-19-9-10(12-4-2-3-5-13(12)19)6-14(20)18-15-17-8-11(7-16)21-15/h2-5,8-9H,6H2,1H3,(H,17,18,20)
InChIKeyGJYMTYTYUWSZEV-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.69
Rot. Bonds3

About N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide

N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide (PubChem CID 90603505) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
PubChem CID90603505
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ncc(C#N)s2)c2ccccc21
InChIInChI=1S/C15H12N4OS/c1-19-9-10(12-4-2-3-5-13(12)19)6-14(20)18-15-17-8-11(7-16)21-15/h2-5,8-9H,6H2,1H3,(H,17,18,20)
InChIKeyGJYMTYTYUWSZEV-UHFFFAOYSA-N
XLogP2.69
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide (CID 90603505) is N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)Nc2ncc(C#N)s2)c2ccccc21.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
The InChIKey is GJYMTYTYUWSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-19-9-10(12-4-2-3-5-13(12)19)6-14(20)18-15-17-8-11(7-16)21-15/h2-5,8-9H,6H2,1H3,(H,17,18,20).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide has a molecular weight of 296.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 90603505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).