3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C19H26N2O2S — CID 4573401

IUPAC3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSC(CC(C)C)N2C(=O)C2CC2)cc1
InChIInChI=1S/C19H26N2O2S/c1-12(2)10-17-21(19(23)14-6-7-14)16(11-24-17)18(22)20-15-8-4-13(3)5-9-15/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)
InChIKeySXLLHFRAZDRZPI-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.66
Rot. Bonds5

About 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4573401) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4573401
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSC(CC(C)C)N2C(=O)C2CC2)cc1
InChIInChI=1S/C19H26N2O2S/c1-12(2)10-17-21(19(23)14-6-7-14)16(11-24-17)18(22)20-15-8-4-13(3)5-9-15/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3,(H,20,22)
InChIKeySXLLHFRAZDRZPI-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone
CID 42748148
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495246
(2R,4R)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495247
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748095
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745083
N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744453
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 4573401) is 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSC(CC(C)C)N2C(=O)C2CC2)cc1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SXLLHFRAZDRZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-12(2)10-17-21(19(23)14-6-7-14)16(11-24-17)18(22)20-15-8-4-13(3)5-9-15/h4-5,8-9,12,14,16-17H,6-7,10-11H2,1-3H3,(H,20,22).
What are the key properties of 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4573401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).