1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea

C16H26N4O2S — CID 97490724

IUPAC1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
SMILESCNC(=O)NC[C@H]1CCC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C16H26N4O2S/c1-17-15(21)19-10-13-2-3-16(12-22-13)4-7-20(8-5-16)11-14-18-6-9-23-14/h6,9,13H,2-5,7-8,10-12H2,1H3,(H2,17,19,21)/t13-/m1/s1
InChIKeyQGUVIQOTASJWJI-CYBMUJFWSA-N
MW338.48 g/mol
LogP1.83
Rot. Bonds4

About 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea

1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea (PubChem CID 97490724) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
PubChem CID97490724
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
SMILESCNC(=O)NC[C@H]1CCC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C16H26N4O2S/c1-17-15(21)19-10-13-2-3-16(12-22-13)4-7-20(8-5-16)11-14-18-6-9-23-14/h6,9,13H,2-5,7-8,10-12H2,1H3,(H2,17,19,21)/t13-/m1/s1
InChIKeyQGUVIQOTASJWJI-CYBMUJFWSA-N
XLogP1.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525577
N-[[4-(fluoromethyl)oxan-4-yl]methyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 128688053
1-Methyl-3-[[9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155851060
N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97372281
(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97451825
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-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
CID 97476494
methyl N-[2-[(S)-[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methoxy]ethyl]carbamate
CID 59201294
methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methoxy]ethyl]carbamate
CID 59201470
methyl N-[2-[[(3S)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methoxy]ethyl]carbamate
CID 68002090
methyl N-[2-[[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methoxy]ethyl]carbamate
CID 68002141
methyl N-[2-[[1-[[1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methoxy]ethyl]carbamate
CID 68002181

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea (CID 97490724) is 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea is CNC(=O)NC[C@H]1CCC2(CCN(Cc3nccs3)CC2)CO1.
What is the InChIKey of 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
The InChIKey is QGUVIQOTASJWJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-17-15(21)19-10-13-2-3-16(12-22-13)4-7-20(8-5-16)11-14-18-6-9-23-14/h6,9,13H,2-5,7-8,10-12H2,1H3,(H2,17,19,21)/t13-/m1/s1.
What are the key properties of 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea?
1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea has a molecular weight of 338.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(3R)-9-(1,3-thiazol-2-ylmethyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea is sourced from PubChem (CID 97490724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).