N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C22H22N2OS — CID 55360254

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1csc(N(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2)n1
InChIInChI=1S/C22H22N2OS/c1-16-15-26-22(23-16)24(20-9-3-2-4-10-20)21(25)14-17-11-12-18-7-5-6-8-19(18)13-17/h2-4,9-13,15H,5-8,14H2,1H3
InChIKeyPXMOHTLQPOQLMG-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.24
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 55360254) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID55360254
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1csc(N(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2)n1
InChIInChI=1S/C22H22N2OS/c1-16-15-26-22(23-16)24(20-9-3-2-4-10-20)21(25)14-17-11-12-18-7-5-6-8-19(18)13-17/h2-4,9-13,15H,5-8,14H2,1H3
InChIKeyPXMOHTLQPOQLMG-UHFFFAOYSA-N
XLogP5.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 55360254) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is Cc1csc(N(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is PXMOHTLQPOQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-16-15-26-22(23-16)24(20-9-3-2-4-10-20)21(25)14-17-11-12-18-7-5-6-8-19(18)13-17/h2-4,9-13,15H,5-8,14H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 55360254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).