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

C19H26Cl2FN3OS — CID 119530004

IUPAC2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)C1CCNC1.Cl.Cl
InChIInChI=1S/C19H24FN3OS.2ClH/c1-3-10-23(16-8-9-21-12-16)19(24)18-13(2)22-17(25-18)11-14-4-6-15(20)7-5-14;;/h4-7,16,21H,3,8-12H2,1-2H3;2*1H
InChIKeyAUHFSOYCAQUAIH-UHFFFAOYSA-N
MW434.41 g/mol
LogP4.24
Rot. Bonds6

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

2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119530004) has the molecular formula C19H26Cl2FN3OS and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119530004
Molecular FormulaC19H26Cl2FN3OS
Molecular Weight434.41 g/mol
Exact Mass433.12
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)C1CCNC1.Cl.Cl
InChIInChI=1S/C19H24FN3OS.2ClH/c1-3-10-23(16-8-9-21-12-16)19(24)18-13(2)22-17(25-18)11-14-4-6-15(20)7-5-14;;/h4-7,16,21H,3,8-12H2,1-2H3;2*1H
InChIKeyAUHFSOYCAQUAIH-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532106
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533114
4-methyl-N-piperidin-4-yl-N,2-dipropyl-1,3-thiazole-5-carboxamide
CID 119824556
2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532088
5-fluoro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119530599
2-[(4-fluorophenoxy)methyl]-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119550008
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119529789
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-[(4-fluorophenyl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120945101
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119530004) is 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CCCN(C(=O)c1sc(Cc2ccc(F)cc2)nc1C)C1CCNC1.Cl.Cl.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is AUHFSOYCAQUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS.2ClH/c1-3-10-23(16-8-9-21-12-16)19(24)18-13(2)22-17(25-18)11-14-4-6-15(20)7-5-14;;/h4-7,16,21H,3,8-12H2,1-2H3;2*1H.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119530004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).