2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C19H31N3O2S — CID 124749619

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NC[C@@H]2CCC3(CCN(C(C)C)CC3)O2)c(C)s1
InChIInChI=1S/C19H31N3O2S/c1-13(2)22-9-7-19(8-10-22)6-5-16(24-19)12-20-18(23)11-17-14(3)25-15(4)21-17/h13,16H,5-12H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyAYKFFJGUZWJAAM-INIZCTEOSA-N
MW365.54 g/mol
LogP2.84
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 124749619) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID124749619
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCc1nc(CC(=O)NC[C@@H]2CCC3(CCN(C(C)C)CC3)O2)c(C)s1
InChIInChI=1S/C19H31N3O2S/c1-13(2)22-9-7-19(8-10-22)6-5-16(24-19)12-20-18(23)11-17-14(3)25-15(4)21-17/h13,16H,5-12H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyAYKFFJGUZWJAAM-INIZCTEOSA-N
XLogP2.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 124749619) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is Cc1nc(CC(=O)NC[C@@H]2CCC3(CCN(C(C)C)CC3)O2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is AYKFFJGUZWJAAM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-13(2)22-9-7-19(8-10-22)6-5-16(24-19)12-20-18(23)11-17-14(3)25-15(4)21-17/h13,16H,5-12H2,1-4H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 365.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 124749619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).