3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C17H21N3OS — CID 110388522

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1csc(CCC(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C17H21N3OS/c1-13-12-22-17(18-13)9-8-16(21)19-14-4-6-15(7-5-14)20-10-2-3-11-20/h4-7,12H,2-3,8-11H2,1H3,(H,19,21)
InChIKeyAAMIVJGBFOWCST-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.62
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 110388522) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID110388522
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1csc(CCC(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C17H21N3OS/c1-13-12-22-17(18-13)9-8-16(21)19-14-4-6-15(7-5-14)20-10-2-3-11-20/h4-7,12H,2-3,8-11H2,1H3,(H,19,21)
InChIKeyAAMIVJGBFOWCST-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388497
N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679526
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110386803
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110386804
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110329830
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39995844
N-(4-pyrrolidin-1-ylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335310
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 110388522) is 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is Cc1csc(CCC(=O)Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is AAMIVJGBFOWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-12-22-17(18-13)9-8-16(21)19-14-4-6-15(7-5-14)20-10-2-3-11-20/h4-7,12H,2-3,8-11H2,1H3,(H,19,21).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110388522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).