N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C18H27N3O2S — CID 71841700

IUPACN-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C18H27N3O2S/c1-12(2)18(23)21-9-3-4-14(10-21)17-20-15(11-24-17)7-8-19-16(22)13-5-6-13/h11-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyLAVPWMNJMCKJGB-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.57
Rot. Bonds6

About N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841700) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841700
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C18H27N3O2S/c1-12(2)18(23)21-9-3-4-14(10-21)17-20-15(11-24-17)7-8-19-16(22)13-5-6-13/h11-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyLAVPWMNJMCKJGB-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
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
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24790870
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 45810788
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 49440653
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 53513549
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841700) is N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is CC(C)C(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is LAVPWMNJMCKJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(2)18(23)21-9-3-4-14(10-21)17-20-15(11-24-17)7-8-19-16(22)13-5-6-13/h11-14H,3-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2-methylpropanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).