N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C22H31N3OS — CID 75448910

IUPACN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)NC(C)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H31N3OS/c1-15(2)12-20-23-17(4)21(27-20)22(26)24-16(3)19-10-11-25(14-19)13-18-8-6-5-7-9-18/h5-9,15-16,19H,10-14H2,1-4H3,(H,24,26)
InChIKeyWUAHZZAYHJMNGF-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.29
Rot. Bonds7

About N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 75448910) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID75448910
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC NameN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)NC(C)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H31N3OS/c1-15(2)12-20-23-17(4)21(27-20)22(26)24-16(3)19-10-11-25(14-19)13-18-8-6-5-7-9-18/h5-9,15-16,19H,10-14H2,1-4H3,(H,24,26)
InChIKeyWUAHZZAYHJMNGF-UHFFFAOYSA-N
XLogP4.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
N-[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 124887071
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 125137212
1-[1-(1-benzylpyrrolidin-3-yl)ethyl]-3-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]urea
CID 166205091
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-ethylpiperidine-2-carboxamide
CID 154801347
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 75448910) is N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)sc1C(=O)NC(C)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WUAHZZAYHJMNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-15(2)12-20-23-17(4)21(27-20)22(26)24-16(3)19-10-11-25(14-19)13-18-8-6-5-7-9-18/h5-9,15-16,19H,10-14H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 385.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75448910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).