[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone

C18H24N2O2S2 — CID 67892591

IUPAC[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1(C)SCCN1C(=O)c1ccc(C(=O)N2CCSC2(C)C)cc1
InChIInChI=1S/C18H24N2O2S2/c1-17(2)19(9-11-23-17)15(21)13-5-7-14(8-6-13)16(22)20-10-12-24-18(20,3)4/h5-8H,9-12H2,1-4H3
InChIKeyWVKVHCVZNWJQSV-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.54
Rot. Bonds2

About [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone

[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 67892591) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone
PubChem CID67892591
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1(C)SCCN1C(=O)c1ccc(C(=O)N2CCSC2(C)C)cc1
InChIInChI=1S/C18H24N2O2S2/c1-17(2)19(9-11-23-17)15(21)13-5-7-14(8-6-13)16(22)20-10-12-24-18(20,3)4/h5-8H,9-12H2,1-4H3
InChIKeyWVKVHCVZNWJQSV-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(1-thia-4-aza-8-azoniaspiro[4.5]decan-4-yl)methanone
CID 7235012
2,2-dimethyl-1-[4-(4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 4242317
[4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 5214428
1-[4-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 4034139
1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one
CID 14149482
(4-ethylphenyl)-[4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3920651
2-chloro-1-[4-(4-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3886223
[4-(4-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 3970774
[4-(3-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 42774046
3,3-dimethyl-1-[4-(4-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 3548517
[4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 3281461
4-(4-bromobenzoyl)-N-ethyl-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3439300

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone (CID 67892591) is [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone is CC1(C)SCCN1C(=O)c1ccc(C(=O)N2CCSC2(C)C)cc1.
What is the InChIKey of [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is WVKVHCVZNWJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-17(2)19(9-11-23-17)15(21)13-5-7-14(8-6-13)16(22)20-10-12-24-18(20,3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone?
[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 364.54 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 67892591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).