N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

C14H13BrN2OS — CID 1225742

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCC1
InChIInChI=1S/C14H13BrN2OS/c15-11-6-4-9(5-7-11)12-8-19-14(16-12)17-13(18)10-2-1-3-10/h4-8,10H,1-3H2,(H,16,17,18)
InChIKeyGFJCCASFXVKFKJ-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 1225742) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID1225742
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCC1
InChIInChI=1S/C14H13BrN2OS/c15-11-6-4-9(5-7-11)12-8-19-14(16-12)17-13(18)10-2-1-3-10/h4-8,10H,1-3H2,(H,16,17,18)
InChIKeyGFJCCASFXVKFKJ-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 9246518
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862805
(1S,2R,3R,4S)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124723247
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
(1S,2S,3R,4R)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11880550
(1S,2R,3R,4R)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 27525882
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 1225742) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C1CCC1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is GFJCCASFXVKFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-11-6-4-9(5-7-11)12-8-19-14(16-12)17-13(18)10-2-1-3-10/h4-8,10H,1-3H2,(H,16,17,18).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 337.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 1225742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).