N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H22N2O2S2 — CID 127600441

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C18H22N2O2S2/c21-16(15-11-19-17(24-15)13-5-9-23-12-13)20-14-4-8-22-18(10-14)6-2-1-3-7-18/h5,9,11-12,14H,1-4,6-8,10H2,(H,20,21)
InChIKeyFGWOYVJEZWHSKF-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.48
Rot. Bonds3

About N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 127600441) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID127600441
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C18H22N2O2S2/c21-16(15-11-19-17(24-15)13-5-9-23-12-13)20-14-4-8-22-18(10-14)6-2-1-3-7-18/h5,9,11-12,14H,1-4,6-8,10H2,(H,20,21)
InChIKeyFGWOYVJEZWHSKF-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550
N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 97079001
1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 126775320
N-piperidin-3-yl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424673
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 126442472
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463616
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]-1,3-thiazole-5-carboxamide
CID 164632096
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 127600441) is N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FGWOYVJEZWHSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c21-16(15-11-19-17(24-15)13-5-9-23-12-13)20-14-4-8-22-18(10-14)6-2-1-3-7-18/h5,9,11-12,14H,1-4,6-8,10H2,(H,20,21).
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 127600441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).