N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

C23H18ClN3OS — CID 11611482

IUPACN-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C23H18ClN3OS/c1-2-20-27-21(16-9-6-10-18(24)13-16)22(29-20)17-11-12-25-19(14-17)26-23(28)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyBGPZLFWCEXPQPC-UHFFFAOYSA-N
MW419.94 g/mol
LogP6.34
Rot. Bonds5

About N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11611482) has the molecular formula C23H18ClN3OS and a molecular weight of 419.94 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11611482
Molecular FormulaC23H18ClN3OS
Molecular Weight419.94 g/mol
Exact Mass419.09
IUPAC NameN-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C23H18ClN3OS/c1-2-20-27-21(16-9-6-10-18(24)13-16)22(29-20)17-11-12-25-19(14-17)26-23(28)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyBGPZLFWCEXPQPC-UHFFFAOYSA-N
XLogP6.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tak-715
CID 9952773
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 950075
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
2-(5-chlorothiophen-2-yl)-N-(pyridin-2-yl)quinoline-4-carboxamide
CID 4119741
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11611482) is N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCc1nc(-c2cccc(Cl)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is BGPZLFWCEXPQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3OS/c1-2-20-27-21(16-9-6-10-18(24)13-16)22(29-20)17-11-12-25-19(14-17)26-23(28)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,25,26,28).
What are the key properties of N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 419.94 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11611482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).