7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

C19H22ClN3O3S — CID 46699201

IUPAC7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)c3cc(Cl)c4c(c3)OCO4)n2)C1
InChIInChI=1S/C19H22ClN3O3S/c1-11-3-12(2)7-23(6-11)8-14-9-27-19(21-14)22-18(24)13-4-15(20)17-16(5-13)25-10-26-17/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,21,22,24)
InChIKeyHXEWQPQMZMHJBJ-UHFFFAOYSA-N
MW407.92 g/mol
LogP4.26
Rot. Bonds4

About 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 46699201) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID46699201
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)c3cc(Cl)c4c(c3)OCO4)n2)C1
InChIInChI=1S/C19H22ClN3O3S/c1-11-3-12(2)7-23(6-11)8-14-9-27-19(21-14)22-18(24)13-4-15(20)17-16(5-13)25-10-26-17/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,21,22,24)
InChIKeyHXEWQPQMZMHJBJ-UHFFFAOYSA-N
XLogP4.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8893418
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 43041573
3-(1,3-benzodioxol-5-yl)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 30192815
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24611202
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188976
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188973
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 46699117
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190739
3-bromo-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190736

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CID 46699201) is 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide is CC1CC(C)CN(Cc2csc(NC(=O)c3cc(Cl)c4c(c3)OCO4)n2)C1.
What is the InChIKey of 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is HXEWQPQMZMHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-11-3-12(2)7-23(6-11)8-14-9-27-19(21-14)22-18(24)13-4-15(20)17-16(5-13)25-10-26-17/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,21,22,24).
What are the key properties of 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46699201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).