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

C16H20ClN3OS2 — CID 43041573

IUPAC5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)c3ccc(Cl)s3)n2)C1
InChIInChI=1S/C16H20ClN3OS2/c1-10-5-11(2)7-20(6-10)8-12-9-22-16(18-12)19-15(21)13-3-4-14(17)23-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,21)
InChIKeyHSPSHLNTGAISEY-UHFFFAOYSA-N
MW369.94 g/mol
LogP4.59
Rot. Bonds4

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

5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 43041573) has the molecular formula C16H20ClN3OS2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID43041573
Molecular FormulaC16H20ClN3OS2
Molecular Weight369.94 g/mol
Exact Mass369.07
IUPAC Name5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)c3ccc(Cl)s3)n2)C1
InChIInChI=1S/C16H20ClN3OS2/c1-10-5-11(2)7-20(6-10)8-12-9-22-16(18-12)19-15(21)13-3-4-14(17)23-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,21)
InChIKeyHSPSHLNTGAISEY-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188973
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188976
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 24586725
4-chloro-N-[2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42934456
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 46699117
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 25474469
5-(cyclopropanecarbonylamino)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30202076
N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97211358
7-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 46699201

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 43041573) is 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CC1CC(C)CN(Cc2csc(NC(=O)c3ccc(Cl)s3)n2)C1.
What is the InChIKey of 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is HSPSHLNTGAISEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS2/c1-10-5-11(2)7-20(6-10)8-12-9-22-16(18-12)19-15(21)13-3-4-14(17)23-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,21).
What are the key properties of 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 369.94 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43041573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).