N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

C18H24N4O4S2 — CID 53149488

IUPACN-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(c2nc(CNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C18H24N4O4S2/c1-11-16(12(2)26-21-11)28(24,25)22-7-3-4-14(9-22)18-20-15(10-27-18)8-19-17(23)13-5-6-13/h10,13-14H,3-9H2,1-2H3,(H,19,23)
InChIKeyHPQBSPYXHXRWOW-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide

N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 53149488) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID53149488
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(c2nc(CNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C18H24N4O4S2/c1-11-16(12(2)26-21-11)28(24,25)22-7-3-4-14(9-22)18-20-15(10-27-18)8-19-17(23)13-5-6-13/h10,13-14H,3-9H2,1-2H3,(H,19,23)
InChIKeyHPQBSPYXHXRWOW-UHFFFAOYSA-N
XLogP2.34
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide (CID 53149488) is N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(c2nc(CNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is HPQBSPYXHXRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-11-16(12(2)26-21-11)28(24,25)22-7-3-4-14(9-22)18-20-15(10-27-18)8-19-17(23)13-5-6-13/h10,13-14H,3-9H2,1-2H3,(H,19,23).
What are the key properties of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide?
N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53149488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).