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

C13H15BrN2S — CID 107637524

IUPACN-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(Br)cccc1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H15BrN2S/c1-8-10(14)3-2-4-11(8)16-13-15-7-12(17-13)9-5-6-9/h2-4,9,12H,5-7H2,1H3,(H,15,16)
InChIKeyLSHLSMSZYSTXMF-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.05
Rot. Bonds2

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

N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107637524) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107637524
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(Br)cccc1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H15BrN2S/c1-8-10(14)3-2-4-11(8)16-13-15-7-12(17-13)9-5-6-9/h2-4,9,12H,5-7H2,1H3,(H,15,16)
InChIKeyLSHLSMSZYSTXMF-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107637524) is N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1c(Br)cccc1NC1=NCC(C2CC2)S1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LSHLSMSZYSTXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-10(14)3-2-4-11(8)16-13-15-7-12(17-13)9-5-6-9/h2-4,9,12H,5-7H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 311.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107637524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).