N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide

C16H14BrN3OS — CID 5308071

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESO=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C16H14BrN3OS/c17-14-11-18-16(22-14)19-15(21)13(20-8-4-5-9-20)10-12-6-2-1-3-7-12/h1-9,11,13H,10H2,(H,18,19,21)
InChIKeyPTAKBWDNPCFDBB-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.13
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide

N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 5308071) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID5308071
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESO=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C16H14BrN3OS/c17-14-11-18-16(22-14)19-15(21)13(20-8-4-5-9-20)10-12-6-2-1-3-7-12/h1-9,11,13H,10H2,(H,18,19,21)
InChIKeyPTAKBWDNPCFDBB-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 87753715
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 121239964
3-phenyl-2-pyrrol-1-ylpropanehydrazide
CID 11842321
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
3-phenyl-N-propan-2-yl-2-pyrrol-1-ylpropanamide
CID 17231122
(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
CID 130563823
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632
2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 65229801
N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 25093341
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide (CID 5308071) is N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide is O=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is PTAKBWDNPCFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c17-14-11-18-16(22-14)19-15(21)13(20-8-4-5-9-20)10-12-6-2-1-3-7-12/h1-9,11,13H,10H2,(H,18,19,21).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide?
N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 376.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 5308071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).