N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

C16H22N2O2S — CID 42745328

IUPACN-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)c1cccc(C)c1
InChIInChI=1S/C16H22N2O2S/c1-4-12(3)17-15(19)14-9-21-10-18(14)16(20)13-7-5-6-11(2)8-13/h5-8,12,14H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyJEDBZYPGMMQRIC-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.42
Rot. Bonds4

About N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745328) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745328
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)c1cccc(C)c1
InChIInChI=1S/C16H22N2O2S/c1-4-12(3)17-15(19)14-9-21-10-18(14)16(20)13-7-5-6-11(2)8-13/h5-8,12,14H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyJEDBZYPGMMQRIC-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 95581574
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
CID 60609338
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42745328) is N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSCN1C(=O)c1cccc(C)c1.
What is the InChIKey of N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JEDBZYPGMMQRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-12(3)17-15(19)14-9-21-10-18(14)16(20)13-7-5-6-11(2)8-13/h5-8,12,14H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).