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

C17H14BrN3OS — CID 23644854

IUPACN-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C17H14BrN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22)
InChIKeyINSHFSYSJAHGNC-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.34
Rot. Bonds5

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

N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644854) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644854
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC NameN-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1scnc1CCc1ccncc1
InChIInChI=1S/C17H14BrN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22)
InChIKeyINSHFSYSJAHGNC-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
CID 18270594
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
3-amino-N-(4-bromophenyl)pyridine-4-carboxamide
CID 23633070
N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093786
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644854) is N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is INSHFSYSJAHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c18-13-2-4-14(5-3-13)21-17(22)16-15(20-11-23-16)6-1-12-7-9-19-10-8-12/h2-5,7-11H,1,6H2,(H,21,22).
What are the key properties of N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).