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

C21H21N5O3S — CID 71061201

IUPAC5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H21N5O3S/c22-18(27)17-21(30-20(24-17)16-5-7-23-8-6-16)25-19(28)15-3-1-14(2-4-15)13-26-9-11-29-12-10-26/h1-8H,9-13H2,(H2,22,27)(H,25,28)
InChIKeyXISZFSQTCZQVQU-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.39
Rot. Bonds6

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

5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71061201) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71061201
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H21N5O3S/c22-18(27)17-21(30-20(24-17)16-5-7-23-8-6-16)25-19(28)15-3-1-14(2-4-15)13-26-9-11-29-12-10-26/h1-8H,9-13H2,(H2,22,27)(H,25,28)
InChIKeyXISZFSQTCZQVQU-UHFFFAOYSA-N
XLogP2.39
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71061201) is 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XISZFSQTCZQVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c22-18(27)17-21(30-20(24-17)16-5-7-23-8-6-16)25-19(28)15-3-1-14(2-4-15)13-26-9-11-29-12-10-26/h1-8H,9-13H2,(H2,22,27)(H,25,28).
What are the key properties of 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71061201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).