5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C24H25N5O3S — CID 71060728

IUPAC5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)N1CCC(Cc2ccc(C(=O)Nc3sc(-c4ccncc4)nc3C(N)=O)cc2)CC1
InChIInChI=1S/C24H25N5O3S/c1-15(30)29-12-8-17(9-13-29)14-16-2-4-18(5-3-16)22(32)28-24-20(21(25)31)27-23(33-24)19-6-10-26-11-7-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H2,25,31)(H,28,32)
InChIKeyHZEVCKGDYMCEKG-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.36
Rot. Bonds6

About 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71060728) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71060728
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)N1CCC(Cc2ccc(C(=O)Nc3sc(-c4ccncc4)nc3C(N)=O)cc2)CC1
InChIInChI=1S/C24H25N5O3S/c1-15(30)29-12-8-17(9-13-29)14-16-2-4-18(5-3-16)22(32)28-24-20(21(25)31)27-23(33-24)19-6-10-26-11-7-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H2,25,31)(H,28,32)
InChIKeyHZEVCKGDYMCEKG-UHFFFAOYSA-N
XLogP3.36
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71060728) is 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CC(=O)N1CCC(Cc2ccc(C(=O)Nc3sc(-c4ccncc4)nc3C(N)=O)cc2)CC1.
What is the InChIKey of 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HZEVCKGDYMCEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15(30)29-12-8-17(9-13-29)14-16-2-4-18(5-3-16)22(32)28-24-20(21(25)31)27-23(33-24)19-6-10-26-11-7-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H2,25,31)(H,28,32).
What are the key properties of 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).