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

C17H28N4O2S — CID 97476208

IUPAC1,1-dimethyl-3-[[(5R,7S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
SMILESCc1csc(CN2CC[C@]3(CCC[C@@H](CNC(=O)N(C)C)O3)C2)n1
InChIInChI=1S/C17H28N4O2S/c1-13-11-24-15(19-13)10-21-8-7-17(12-21)6-4-5-14(23-17)9-18-16(22)20(2)3/h11,14H,4-10,12H2,1-3H3,(H,18,22)/t14-,17+/m0/s1
InChIKeyNQDFIHSMRUWPGQ-WMLDXEAASA-N
MW352.50 g/mol
LogP2.24
Rot. Bonds4

About 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

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 (PubChem CID 97476208) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-dimethyl-3-[[(5R,7S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
PubChem CID97476208
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name1,1-dimethyl-3-[[(5R,7S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea
SMILESCc1csc(CN2CC[C@]3(CCC[C@@H](CNC(=O)N(C)C)O3)C2)n1
InChIInChI=1S/C17H28N4O2S/c1-13-11-24-15(19-13)10-21-8-7-17(12-21)6-4-5-14(23-17)9-18-16(22)20(2)3/h11,14H,4-10,12H2,1-3H3,(H,18,22)/t14-,17+/m0/s1
InChIKeyNQDFIHSMRUWPGQ-WMLDXEAASA-N
XLogP2.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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

1-[1-(4-Methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea
CID 95770692
1-[(2-Tert-butyloxan-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 72009741
1,1-dimethyl-3-[(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]urea;2,2,2-trifluoroacetic acid
CID 155830368
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;2,2,2-trifluoroacetic acid
CID 155837973
1-[1-(4-Methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 56826811
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
1-[2-(2-Methylcyclohexyl)oxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827575
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 45830962
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 45832017
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55793384
N-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2-propyloxan-4-amine
CID 64110377

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc(CN2CC[C@]3(CCC[C@@H](CNC(=O)N(C)C)O3)C2)n1.
What is the InChIKey of 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?
The InChIKey is NQDFIHSMRUWPGQ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13-11-24-15(19-13)10-21-8-7-17(12-21)6-4-5-14(23-17)9-18-16(22)20(2)3/h11,14H,4-10,12H2,1-3H3,(H,18,22)/t14-,17+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 352.50 g/mol, XLogP of 2.24, 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-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea is sourced from PubChem (CID 97476208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).