3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide

C21H29N3O2S — CID 110622556

IUPAC3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)NCC(C)(C)N3CCCC3)n2)cc1
InChIInChI=1S/C21H29N3O2S/c1-21(2,24-12-4-5-13-24)15-22-19(25)10-11-20-23-18(14-27-20)16-6-8-17(26-3)9-7-16/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,22,25)
InChIKeyKOSHTELSVBCBKR-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.74
Rot. Bonds8

About 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 110622556) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
PubChem CID110622556
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)NCC(C)(C)N3CCCC3)n2)cc1
InChIInChI=1S/C21H29N3O2S/c1-21(2,24-12-4-5-13-24)15-22-19(25)10-11-20-23-18(14-27-20)16-6-8-17(26-3)9-7-16/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,22,25)
InChIKeyKOSHTELSVBCBKR-UHFFFAOYSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51313176
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110413894
3-(4-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 46978105
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 110607149
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylmorpholin-4-yl)propan-1-one
CID 110631367
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110422465

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide (CID 110622556) is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide is COc1ccc(-c2csc(CCC(=O)NCC(C)(C)N3CCCC3)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is KOSHTELSVBCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-21(2,24-12-4-5-13-24)15-22-19(25)10-11-20-23-18(14-27-20)16-6-8-17(26-3)9-7-16/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide?
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 387.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110622556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).