1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide

C18H24N4OS — CID 71968029

IUPAC1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NCc3cscn3)cc2)CC1
InChIInChI=1S/C18H24N4OS/c19-18(23)15-6-9-22(10-7-15)8-5-14-1-3-16(4-2-14)20-11-17-12-24-13-21-17/h1-4,12-13,15,20H,5-11H2,(H2,19,23)
InChIKeyDMLYVYIAOONTJI-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.49
Rot. Bonds7

About 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide

1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 71968029) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID71968029
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NCc3cscn3)cc2)CC1
InChIInChI=1S/C18H24N4OS/c19-18(23)15-6-9-22(10-7-15)8-5-14-1-3-16(4-2-14)20-11-17-12-24-13-21-17/h1-4,12-13,15,20H,5-11H2,(H2,19,23)
InChIKeyDMLYVYIAOONTJI-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-carbamoylpiperidin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 126822339
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[2-[4-(oxolane-3-carbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 154747322
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide
CID 63825784
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
2-(4-aminopiperidin-1-yl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 79328654
1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
CID 82260369
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide (CID 71968029) is 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCc2ccc(NCc3cscn3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is DMLYVYIAOONTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-18(23)15-6-9-22(10-7-15)8-5-14-1-3-16(4-2-14)20-11-17-12-24-13-21-17/h1-4,12-13,15,20H,5-11H2,(H2,19,23).
What are the key properties of 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71968029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).