2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide

C19H17Cl2N3OS — CID 59580579

IUPAC2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)c1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-3-24(18(25)12(2)13-6-8-15(20)9-7-13)19-16(21)23-17(26-19)14-5-4-10-22-11-14/h4-12H,3H2,1-2H3
InChIKeyIQNBKBXHSLWVBZ-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.67
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide

2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide (PubChem CID 59580579) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide
PubChem CID59580579
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC Name2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)c1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-3-24(18(25)12(2)13-6-8-15(20)9-7-13)19-16(21)23-17(26-19)14-5-4-10-22-11-14/h4-12H,3H2,1-2H3
InChIKeyIQNBKBXHSLWVBZ-UHFFFAOYSA-N
XLogP5.67
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide (CID 59580579) is 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide is CCN(C(=O)C(C)c1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide?
The InChIKey is IQNBKBXHSLWVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-3-24(18(25)12(2)13-6-8-15(20)9-7-13)19-16(21)23-17(26-19)14-5-4-10-22-11-14/h4-12H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide?
2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide has a molecular weight of 406.34 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide is sourced from PubChem (CID 59580579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).