N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide

C13H21N3OS — CID 73439355

IUPACN-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(C)C)CC2)cs1
InChIInChI=1S/C13H21N3OS/c1-9(2)16-6-4-11(5-7-16)12-8-18-13(15-12)14-10(3)17/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyKGRICJKBAWYFEP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.69
Rot. Bonds3

About N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 73439355) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID73439355
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(C)C)CC2)cs1
InChIInChI=1S/C13H21N3OS/c1-9(2)16-6-4-11(5-7-16)12-8-18-13(15-12)14-10(3)17/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyKGRICJKBAWYFEP-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

n-(4-Cyclopropylthiazol-2-yl)pivalamide
CID 60741010
Tert-butyl 4-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 24229290
1-acetyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 32864406
1-[3-[(4-Methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
CID 48779494
2-[4-(2-Acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 95828053
N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 95828294
N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 95828323
N-[4-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 95828345
N-[4-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 110258677
N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 110258692
N-(4-cyclohexylthiazol-2-yl)propionamide
CID 5141035
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 142538963

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide (CID 73439355) is N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CCN(C(C)C)CC2)cs1.
What is the InChIKey of N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KGRICJKBAWYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)16-6-4-11(5-7-16)12-8-18-13(15-12)14-10(3)17/h8-9,11H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 267.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 73439355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).