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

C13H17BrN2S — CID 114009788

IUPACN-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Br)cc1NC1=NC(C(C)C)CS1
InChIInChI=1S/C13H17BrN2S/c1-8(2)12-7-17-13(16-12)15-11-6-10(14)5-4-9(11)3/h4-6,8,12H,7H2,1-3H3,(H,15,16)
InChIKeySNFWMOPSSJTRKE-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.30
Rot. Bonds2

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

N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114009788) has the molecular formula C13H17BrN2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114009788
Molecular FormulaC13H17BrN2S
Molecular Weight313.26 g/mol
Exact Mass312.03
IUPAC NameN-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Br)cc1NC1=NC(C(C)C)CS1
InChIInChI=1S/C13H17BrN2S/c1-8(2)12-7-17-13(16-12)15-11-6-10(14)5-4-9(11)3/h4-6,8,12H,7H2,1-3H3,(H,15,16)
InChIKeySNFWMOPSSJTRKE-UHFFFAOYSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114009788) is N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(Br)cc1NC1=NC(C(C)C)CS1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SNFWMOPSSJTRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S/c1-8(2)12-7-17-13(16-12)15-11-6-10(14)5-4-9(11)3/h4-6,8,12H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 313.26 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114009788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).