1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea

C16H26N4O2S — CID 97476494

IUPAC1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
SMILESCN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3nccs3)C2)O1
InChIInChI=1S/C16H26N4O2S/c1-19(2)15(21)18-10-13-4-3-5-16(22-13)6-8-20(12-16)11-14-17-7-9-23-14/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,18,21)/t13-,16+/m0/s1
InChIKeySEZVCGHKMOPDPZ-XJKSGUPXSA-N
MW338.48 g/mol
LogP1.93
Rot. Bonds4

About 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea

1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea (PubChem CID 97476494) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
PubChem CID97476494
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
SMILESCN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3nccs3)C2)O1
InChIInChI=1S/C16H26N4O2S/c1-19(2)15(21)18-10-13-4-3-5-16(22-13)6-8-20(12-16)11-14-17-7-9-23-14/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,18,21)/t13-,16+/m0/s1
InChIKeySEZVCGHKMOPDPZ-XJKSGUPXSA-N
XLogP1.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

4-[(2S)-oxolan-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 124619443
1-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 164630396
1,1-dimethyl-3-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155838318
1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155854558
N-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474642
1,1-dimethyl-3-[[(5R,7R)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
CID 97475376
1,1-dimethyl-3-[[(5R,7S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
CID 97476208
1-[Cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 71990550
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75477678
1-[Cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769689
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235596
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235597

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea (CID 97476494) is 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea is CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3nccs3)C2)O1.
What is the InChIKey of 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea?
The InChIKey is SEZVCGHKMOPDPZ-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-19(2)15(21)18-10-13-4-3-5-16(22-13)6-8-20(12-16)11-14-17-7-9-23-14/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,18,21)/t13-,16+/m0/s1.
What are the key properties of 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea?
1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea has a molecular weight of 338.48 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[(5R,7S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea is sourced from PubChem (CID 97476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).