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

C13H17BrN2S — CID 107637514

IUPACN-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(Br)cccc1NC1=NCC(C(C)C)S1
InChIInChI=1S/C13H17BrN2S/c1-8(2)12-7-15-13(17-12)16-11-6-4-5-10(14)9(11)3/h4-6,8,12H,7H2,1-3H3,(H,15,16)
InChIKeyQDOWMDUITYCOGQ-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.30
Rot. Bonds2

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

N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107637514) has the molecular formula C13H17BrN2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107637514
Molecular FormulaC13H17BrN2S
Molecular Weight313.26 g/mol
Exact Mass312.03
IUPAC NameN-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1c(Br)cccc1NC1=NCC(C(C)C)S1
InChIInChI=1S/C13H17BrN2S/c1-8(2)12-7-15-13(17-12)16-11-6-4-5-10(14)9(11)3/h4-6,8,12H,7H2,1-3H3,(H,15,16)
InChIKeyQDOWMDUITYCOGQ-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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Related Compounds

N-(3-bromo-2-methylphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637524
N-(4-bromo-3-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492360
N-(4-bromo-3-fluorophenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492490
N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492385
5-propan-2-yl-N-(2,4,6-trimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492342
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637509
N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637513
N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284902
N,3-dibromo-2-methylaniline
CID 155755469
N-(3-bromo-2-methylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363835
N-(3-bromo-2-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114211112
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107637514) is N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1c(Br)cccc1NC1=NCC(C(C)C)S1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QDOWMDUITYCOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S/c1-8(2)12-7-15-13(17-12)16-11-6-4-5-10(14)9(11)3/h4-6,8,12H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-bromo-2-methylphenyl)-5-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-(3-bromo-2-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107637514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).