N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H21BrN2S — CID 106285273

IUPACN-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(C)c(Br)c2)S1
InChIInChI=1S/C15H21BrN2S/c1-4-11(5-2)14-9-17-15(19-14)18-12-7-6-10(3)13(16)8-12/h6-8,11,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyZFADBOSIXUAMFK-UHFFFAOYSA-N
MW341.32 g/mol
LogP5.08
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285273) has the molecular formula C15H21BrN2S and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285273
Molecular FormulaC15H21BrN2S
Molecular Weight341.32 g/mol
Exact Mass340.06
IUPAC NameN-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(C)c(Br)c2)S1
InChIInChI=1S/C15H21BrN2S/c1-4-11(5-2)14-9-17-15(19-14)18-12-7-6-10(3)13(16)8-12/h6-8,11,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyZFADBOSIXUAMFK-UHFFFAOYSA-N
XLogP5.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284901
N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284701
N-(2-bromo-4,6-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285478
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
N-(4-bromo-3-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492360
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917
3-bromo-4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 106285807
N-(4-bromo-3-fluorophenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492490
N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250889
N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284811
N-(3-bromo-4-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967890

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285273) is N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2ccc(C)c(Br)c2)S1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZFADBOSIXUAMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2S/c1-4-11(5-2)14-9-17-15(19-14)18-12-7-6-10(3)13(16)8-12/h6-8,11,14H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 341.32 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).