N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C19H24N4O2S — CID 49448762

IUPACN-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-13-20-14)19(25)22-16-7-10-23(11-8-16)12-9-17(24)21-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyCXVQOZFGACQXMD-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.67
Rot. Bonds6

About N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49448762) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49448762
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H24N4O2S/c1-14-18(26-13-20-14)19(25)22-16-7-10-23(11-8-16)12-9-17(24)21-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyCXVQOZFGACQXMD-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49448762) is N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CXVQOZFGACQXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-18(26-13-20-14)19(25)22-16-7-10-23(11-8-16)12-9-17(24)21-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-anilino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).