(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone

C21H31N3O4S — CID 171318302

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCOC3(C2)CN(C(=O)C2(C)CCCCC2)CCO3)s1
InChIInChI=1S/C21H31N3O4S/c1-15-17(29-16(2)22-15)18(25)23-9-11-27-21(13-23)14-24(10-12-28-21)19(26)20(3)7-5-4-6-8-20/h4-14H2,1-3H3
InChIKeyHEBQXSRVDWGSST-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.76
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone (PubChem CID 171318302) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
PubChem CID171318302
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCOC3(C2)CN(C(=O)C2(C)CCCCC2)CCO3)s1
InChIInChI=1S/C21H31N3O4S/c1-15-17(29-16(2)22-15)18(25)23-9-11-27-21(13-23)14-24(10-12-28-21)19(26)20(3)7-5-4-6-8-20/h4-14H2,1-3H3
InChIKeyHEBQXSRVDWGSST-UHFFFAOYSA-N
XLogP2.76
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
CID 171318304
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 71873404
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166142
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286170
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone (CID 171318302) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone is Cc1nc(C)c(C(=O)N2CCOC3(C2)CN(C(=O)C2(C)CCCCC2)CCO3)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone?
The InChIKey is HEBQXSRVDWGSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-15-17(29-16(2)22-15)18(25)23-9-11-27-21(13-23)14-24(10-12-28-21)19(26)20(3)7-5-4-6-8-20/h4-14H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone has a molecular weight of 421.56 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone is sourced from PubChem (CID 171318302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).