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

C17H13Cl2N3OS — CID 23644848

IUPACN-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1scnc1CCc1ccncc1
InChIInChI=1S/C17H13Cl2N3OS/c18-13-3-2-12(9-14(13)19)22-17(23)16-15(21-10-24-16)4-1-11-5-7-20-8-6-11/h2-3,5-10H,1,4H2,(H,22,23)
InChIKeyBQMQEANQUOYMOW-UHFFFAOYSA-N
MW378.28 g/mol
LogP4.88
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644848) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644848
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC NameN-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1scnc1CCc1ccncc1
InChIInChI=1S/C17H13Cl2N3OS/c18-13-3-2-12(9-14(13)19)22-17(23)16-15(21-10-24-16)4-1-11-5-7-20-8-6-11/h2-3,5-10H,1,4H2,(H,22,23)
InChIKeyBQMQEANQUOYMOW-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237032
6-Chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638603
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-(4-chlorophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644830
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644850
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
3-chloro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119147
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
N-(4-chlorophenyl)-4-[2-(quinolin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644831
N-(4-phenylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644855

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644848) is N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BQMQEANQUOYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c18-13-3-2-12(9-14(13)19)22-17(23)16-15(21-10-24-16)4-1-11-5-7-20-8-6-11/h2-3,5-10H,1,4H2,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).