N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide

C14H15BrN2OS — CID 134087108

IUPACN-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2ccc(Br)cc2)ns1
InChIInChI=1S/C14H15BrN2OS/c1-9(2)7-13(18)16-14-8-12(17-19-14)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyBYBPEJDPGXVAAT-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.56
Rot. Bonds4

About N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide

N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide (PubChem CID 134087108) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide
PubChem CID134087108
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2ccc(Br)cc2)ns1
InChIInChI=1S/C14H15BrN2OS/c1-9(2)7-13(18)16-14-8-12(17-19-14)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyBYBPEJDPGXVAAT-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
N-[5-(4-hydroxyphenyl)-3-methylpyrazin-2-yl]-3-methylbutanamide
CID 136624968
N-(4-iodo-2-pyridinyl)-3-methylbutanamide
CID 170352197
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(6-bromo-1,2-benzoxazol-3-yl)-3-methylbutanamide
CID 11988535
N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide
CID 26951710
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83280029

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide?
The IUPAC name of N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide (CID 134087108) is N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1cc(-c2ccc(Br)cc2)ns1.
What is the InChIKey of N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide?
The InChIKey is BYBPEJDPGXVAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9(2)7-13(18)16-14-8-12(17-19-14)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide?
N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide has a molecular weight of 339.26 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1,2-thiazol-5-yl]-3-methylbutanamide is sourced from PubChem (CID 134087108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).