4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide

C17H28N4O2S — CID 71841861

IUPAC4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCCC(=O)NCCc1csc(C2CCN(C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2S/c1-4-15(22)18-8-5-14-11-24-16(20-14)13-6-9-21(10-7-13)17(23)19-12(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyDUCBLBNGKSOCFA-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.51
Rot. Bonds6

About 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide

4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71841861) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID71841861
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCCC(=O)NCCc1csc(C2CCN(C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2S/c1-4-15(22)18-8-5-14-11-24-16(20-14)13-6-9-21(10-7-13)17(23)19-12(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyDUCBLBNGKSOCFA-UHFFFAOYSA-N
XLogP2.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopropyl-1'-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189152
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 45810788
1-[3-[(4-Methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
CID 48779494
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083
1-[2-(2-Ethyl-1,3-thiazol-4-yl)ethyl]-3-(thian-4-yl)urea
CID 53607372
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56905883
1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-piperidinecarboxamide
CID 70787928
tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate
CID 71892966
1-(1-Tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 71924022

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 71841861) is 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide is CCC(=O)NCCc1csc(C2CCN(C(=O)NC(C)C)CC2)n1.
What is the InChIKey of 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is DUCBLBNGKSOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-4-15(22)18-8-5-14-11-24-16(20-14)13-6-9-21(10-7-13)17(23)19-12(2)3/h11-13H,4-10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71841861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).