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

C18H30N4O2S — CID 71841858

IUPAC4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nc(CCNC(=O)C(C)C)cs2)CC1
InChIInChI=1S/C18H30N4O2S/c1-12(2)16(23)19-8-5-15-11-25-17(21-15)14-6-9-22(10-7-14)18(24)20-13(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyQKOSMMKQMRGTQZ-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.76
Rot. Bonds6

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

4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71841858) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID71841858
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nc(CCNC(=O)C(C)C)cs2)CC1
InChIInChI=1S/C18H30N4O2S/c1-12(2)16(23)19-8-5-15-11-25-17(21-15)14-6-9-22(10-7-14)18(24)20-13(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyQKOSMMKQMRGTQZ-UHFFFAOYSA-N
XLogP2.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 53149546
N-cyclopentyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841862
N-tert-butyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841869
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
N-[[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149358
2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841752
2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 95097328
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide
CID 53149528
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
2-methyl-N-[2-[2-[(3S)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 95097313
N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841804

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 71841858) is 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(c2nc(CCNC(=O)C(C)C)cs2)CC1.
What is the InChIKey of 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is QKOSMMKQMRGTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-12(2)16(23)19-8-5-15-11-25-17(21-15)14-6-9-22(10-7-14)18(24)20-13(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71841858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).