2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

C19H24ClN3O2S — CID 119532088

IUPAC2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)C1CCNC1
InChIInChI=1S/C19H24ClN3O2S/c1-3-10-23(15-8-9-21-11-15)19(24)18-13(2)22-17(26-18)12-25-16-6-4-14(20)5-7-16/h4-7,15,21H,3,8-12H2,1-2H3
InChIKeyBOJHBQCGHUOQEC-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.90
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 119532088) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID119532088
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)C1CCNC1
InChIInChI=1S/C19H24ClN3O2S/c1-3-10-23(15-8-9-21-11-15)19(24)18-13(2)22-17(26-18)12-25-16-6-4-14(20)5-7-16/h4-7,15,21H,3,8-12H2,1-2H3
InChIKeyBOJHBQCGHUOQEC-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532106
N-butyl-2-[(4-chlorophenoxy)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75866838
2-[(4-fluorophenoxy)methyl]-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119550008
2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119530004
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
4-methyl-N-piperidin-4-yl-N,2-dipropyl-1,3-thiazole-5-carboxamide
CID 119824556
2-[(4-chlorophenoxy)methyl]-4-methyl-N,N-di(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 56530490
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533114
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46565894
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232739
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (CID 119532088) is 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is CCCN(C(=O)c1sc(COc2ccc(Cl)cc2)nc1C)C1CCNC1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BOJHBQCGHUOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-3-10-23(15-8-9-21-11-15)19(24)18-13(2)22-17(26-18)12-25-16-6-4-14(20)5-7-16/h4-7,15,21H,3,8-12H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 393.94 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119532088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).