N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C21H22N4O2S — CID 23644846

IUPACN-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C21H22N4O2S/c26-21(20-19(23-15-28-20)6-1-16-7-9-22-10-8-16)24-17-2-4-18(5-3-17)25-11-13-27-14-12-25/h2-5,7-10,15H,1,6,11-14H2,(H,24,26)
InChIKeyDPGSHJNUIUYMMW-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.41
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644846) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644846
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C21H22N4O2S/c26-21(20-19(23-15-28-20)6-1-16-7-9-22-10-8-16)24-17-2-4-18(5-3-17)25-11-13-27-14-12-25/h2-5,7-10,15H,1,6,11-14H2,(H,24,26)
InChIKeyDPGSHJNUIUYMMW-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644846) is N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DPGSHJNUIUYMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-21(20-19(23-15-28-20)6-1-16-7-9-22-10-8-16)24-17-2-4-18(5-3-17)25-11-13-27-14-12-25/h2-5,7-10,15H,1,6,11-14H2,(H,24,26).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).