2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C15H25N3OS — CID 75496986

IUPAC2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCC(C)(C)N(CC(N)=O)Cc1cnc(C2CCCC2)s1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)18(10-13(16)19)9-12-8-17-14(20-12)11-6-4-5-7-11/h8,11H,4-7,9-10H2,1-3H3,(H2,16,19)
InChIKeyXNJRGVHUTOHHTC-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.89
Rot. Bonds5

About 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide

2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 75496986) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID75496986
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCC(C)(C)N(CC(N)=O)Cc1cnc(C2CCCC2)s1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)18(10-13(16)19)9-12-8-17-14(20-12)11-6-4-5-7-11/h8,11H,4-7,9-10H2,1-3H3,(H2,16,19)
InChIKeyXNJRGVHUTOHHTC-UHFFFAOYSA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 75496986) is 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide is CC(C)(C)N(CC(N)=O)Cc1cnc(C2CCCC2)s1.
What is the InChIKey of 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is XNJRGVHUTOHHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,3)18(10-13(16)19)9-12-8-17-14(20-12)11-6-4-5-7-11/h8,11H,4-7,9-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 295.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 75496986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).