3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide

C20H29N3O2S — CID 119551586

IUPAC3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)C1CCNC1
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)15-7-5-14(6-8-15)18(24)23-13-26-12-17(23)19(25)22(4)16-9-10-21-11-16/h5-8,16-17,21H,9-13H2,1-4H3
InChIKeyIPHAHZWNAMUZGW-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide

3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 119551586) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID119551586
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCN(C(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)C1CCNC1
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)15-7-5-14(6-8-15)18(24)23-13-26-12-17(23)19(25)22(4)16-9-10-21-11-16/h5-8,16-17,21H,9-13H2,1-4H3
InChIKeyIPHAHZWNAMUZGW-UHFFFAOYSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119552345
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 86891362
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
N-cyclopropyl-N-methyl-3-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136526904
N,N-dimethyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136518419

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide (CID 119551586) is 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide is CN(C(=O)C1CSCN1C(=O)c1ccc(C(C)(C)C)cc1)C1CCNC1.
What is the InChIKey of 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is IPHAHZWNAMUZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-20(2,3)15-7-5-14(6-8-15)18(24)23-13-26-12-17(23)19(25)22(4)16-9-10-21-11-16/h5-8,16-17,21H,9-13H2,1-4H3.
What are the key properties of 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide?
3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119551586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).