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

C22H23N5O2S — CID 71060758

IUPAC5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C22H23N5O2S/c23-19(28)18-22(30-21(26-18)17-7-11-25-12-8-17)27-20(29)16-3-1-14(2-4-16)13-15-5-9-24-10-6-15/h1-4,7-8,11-12,15,24H,5-6,9-10,13H2,(H2,23,28)(H,27,29)
InChIKeyMELZPSHALOWGQY-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.10
Rot. Bonds6

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

5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71060758) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71060758
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C22H23N5O2S/c23-19(28)18-22(30-21(26-18)17-7-11-25-12-8-17)27-20(29)16-3-1-14(2-4-16)13-15-5-9-24-10-6-15/h1-4,7-8,11-12,15,24H,5-6,9-10,13H2,(H2,23,28)(H,27,29)
InChIKeyMELZPSHALOWGQY-UHFFFAOYSA-N
XLogP3.10
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71060758) is 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MELZPSHALOWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c23-19(28)18-22(30-21(26-18)17-7-11-25-12-8-17)27-20(29)16-3-1-14(2-4-16)13-15-5-9-24-10-6-15/h1-4,7-8,11-12,15,24H,5-6,9-10,13H2,(H2,23,28)(H,27,29).
What are the key properties of 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(piperidin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).