5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C18H16BrN3OS — CID 55688943

IUPAC5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)c1sc(NC(=O)c2cncc(Br)c2)nc1-c1ccccc1
InChIInChI=1S/C18H16BrN3OS/c1-11(2)16-15(12-6-4-3-5-7-12)21-18(24-16)22-17(23)13-8-14(19)10-20-9-13/h3-11H,1-2H3,(H,21,22,23)
InChIKeyLTUPCZCFBNRVCF-UHFFFAOYSA-N
MW402.32 g/mol
LogP5.34
Rot. Bonds4

About 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 55688943) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID55688943
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)c1sc(NC(=O)c2cncc(Br)c2)nc1-c1ccccc1
InChIInChI=1S/C18H16BrN3OS/c1-11(2)16-15(12-6-4-3-5-7-12)21-18(24-16)22-17(23)13-8-14(19)10-20-9-13/h3-11H,1-2H3,(H,21,22,23)
InChIKeyLTUPCZCFBNRVCF-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55688821
4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
CID 144822336
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
2-[(4-bromophenyl)methylsulfonyl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 112827270
5-bromo-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-3-carboxamide
CID 16559398
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-bromopyridine-3-carboxamide
CID 18075084
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 55688943) is 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is CC(C)c1sc(NC(=O)c2cncc(Br)c2)nc1-c1ccccc1.
What is the InChIKey of 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is LTUPCZCFBNRVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-11(2)16-15(12-6-4-3-5-7-12)21-18(24-16)22-17(23)13-8-14(19)10-20-9-13/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 402.32 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55688943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).