4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine

C13H15BrN2S — CID 166023438

IUPAC4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1sc(N)nc1-c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2S/c1-8(2)7-11-12(16-13(15)17-11)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyJPBRGTPVOYKVHP-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.35
Rot. Bonds3

About 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine

4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 166023438) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID166023438
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1sc(N)nc1-c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2S/c1-8(2)7-11-12(16-13(15)17-11)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyJPBRGTPVOYKVHP-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-5-[2-(dipentylamino)ethyl]-1,3-thiazol-2-amine
CID 18981289
4-(furan-2-yl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 23112572
4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine
CID 156849994
[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide
CID 156613512
5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 82134771
4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864528
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 115354111
6-(4-bromophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198057
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489254
5-(4-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62219206
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine (CID 166023438) is 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)Cc1sc(N)nc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is JPBRGTPVOYKVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8(2)7-11-12(16-13(15)17-11)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 311.25 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166023438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).