(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

C18H23N5O4S — CID 171318304

IUPAC(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
SMILESCc1nc(C)c(C(=O)N2CCOC3(C2)CN(C(=O)c2nccn2C)CCO3)s1
InChIInChI=1S/C18H23N5O4S/c1-12-14(28-13(2)20-12)16(24)22-6-8-26-18(10-22)11-23(7-9-27-18)17(25)15-19-4-5-21(15)3/h4-5H,6-11H2,1-3H3
InChIKeyAFGOZGHEFDHERQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.83
Rot. Bonds2

About (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

(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 (PubChem CID 171318304) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171318304
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name(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
SMILESCc1nc(C)c(C(=O)N2CCOC3(C2)CN(C(=O)c2nccn2C)CCO3)s1
InChIInChI=1S/C18H23N5O4S/c1-12-14(28-13(2)20-12)16(24)22-6-8-26-18(10-22)11-23(7-9-27-18)17(25)15-19-4-5-21(15)3/h4-5H,6-11H2,1-3H3
InChIKeyAFGOZGHEFDHERQ-UHFFFAOYSA-N
XLogP0.83
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-methylimidazol-2-yl)-[4-(5-methyl-1,3-thiazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
CID 171318293
[4-(1-methylimidazole-2-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 171318381
(1-methylimidazol-2-yl)-(4-methylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)methanone
CID 171318438
(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
[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132776944
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
2-methyl-4-[(2S)-4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044847
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844513
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
[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)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493668
[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132764679

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(C)c(C(=O)N2CCOC3(C2)CN(C(=O)c2nccn2C)CCO3)s1.
What is the InChIKey of (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?
The InChIKey is AFGOZGHEFDHERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-12-14(28-13(2)20-12)16(24)22-6-8-26-18(10-22)11-23(7-9-27-18)17(25)15-19-4-5-21(15)3/h4-5H,6-11H2,1-3H3.
What are the key properties of (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?
(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 has a molecular weight of 405.48 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171318304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).