N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide

C17H21N3OS — CID 71972939

IUPACN-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2csc(C3CCCC3)n2)c1
InChIInChI=1S/C17H21N3OS/c1-12(21)19-15-8-4-7-14(9-15)18-10-16-11-22-17(20-16)13-5-2-3-6-13/h4,7-9,11,13,18H,2-3,5-6,10H2,1H3,(H,19,21)
InChIKeyGHXSYRJPGCLOMS-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide

N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 71972939) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
PubChem CID71972939
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2csc(C3CCCC3)n2)c1
InChIInChI=1S/C17H21N3OS/c1-12(21)19-15-8-4-7-14(9-15)18-10-16-11-22-17(20-16)13-5-2-3-6-13/h4,7-9,11,13,18H,2-3,5-6,10H2,1H3,(H,19,21)
InChIKeyGHXSYRJPGCLOMS-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide (CID 71972939) is N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2csc(C3CCCC3)n2)c1.
What is the InChIKey of N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is GHXSYRJPGCLOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(21)19-15-8-4-7-14(9-15)18-10-16-11-22-17(20-16)13-5-2-3-6-13/h4,7-9,11,13,18H,2-3,5-6,10H2,1H3,(H,19,21).
What are the key properties of N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide?
N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71972939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).