1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C20H22N4OS2 — CID 45211803

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)s1
InChIInChI=1S/C20H22N4OS2/c1-14-21-9-18(27-14)11-24-8-2-3-16(10-24)20(25)23-17-6-4-15(5-7-17)19-12-26-13-22-19/h4-7,9,12-13,16H,2-3,8,10-11H2,1H3,(H,23,25)
InChIKeyRZCBLTBYTRHTAC-UHFFFAOYSA-N
MW398.56 g/mol
LogP4.43
Rot. Bonds5

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45211803) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID45211803
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)s1
InChIInChI=1S/C20H22N4OS2/c1-14-21-9-18(27-14)11-24-8-2-3-16(10-24)20(25)23-17-6-4-15(5-7-17)19-12-26-13-22-19/h4-7,9,12-13,16H,2-3,8,10-11H2,1H3,(H,23,25)
InChIKeyRZCBLTBYTRHTAC-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 162666279
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 70757490
1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45220934
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030
1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 24792091
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 162655576
N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45191889
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 42592946
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 45217471

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 45211803) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is RZCBLTBYTRHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c1-14-21-9-18(27-14)11-24-8-2-3-16(10-24)20(25)23-17-6-4-15(5-7-17)19-12-26-13-22-19/h4-7,9,12-13,16H,2-3,8,10-11H2,1H3,(H,23,25).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 398.56 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45211803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).