2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

C18H24ClN3O2S — CID 119531891

IUPAC2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnc(-c2ccc(OC)cc2)s1)C1CCNC1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-3-10-21(14-8-9-19-11-14)18(22)16-12-20-17(24-16)13-4-6-15(23-2)7-5-13;/h4-7,12,14,19H,3,8-11H2,1-2H3;1H
InChIKeyXSGNYTVVWBVKQY-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119531891) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119531891
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnc(-c2ccc(OC)cc2)s1)C1CCNC1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-3-10-21(14-8-9-19-11-14)18(22)16-12-20-17(24-16)13-4-6-15(23-2)7-5-13;/h4-7,12,14,19H,3,8-11H2,1-2H3;1H
InChIKeyXSGNYTVVWBVKQY-UHFFFAOYSA-N
XLogP3.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532106
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532088
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
1-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119532334
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 119531891) is 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is CCCN(C(=O)c1cnc(-c2ccc(OC)cc2)s1)C1CCNC1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is XSGNYTVVWBVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-3-10-21(14-8-9-19-11-14)18(22)16-12-20-17(24-16)13-4-6-15(23-2)7-5-13;/h4-7,12,14,19H,3,8-11H2,1-2H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119531891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).