N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H18BrClN2S — CID 107154351

IUPACN-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(Nc2cc(Br)ccc2Cl)S1
InChIInChI=1S/C14H18BrClN2S/c1-14(2,3)7-10-8-17-13(19-10)18-12-6-9(15)4-5-11(12)16/h4-6,10H,7-8H2,1-3H3,(H,17,18)
InChIKeyFCLLYRPRAJIYOH-UHFFFAOYSA-N
MW361.74 g/mol
LogP5.42
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154351) has the molecular formula C14H18BrClN2S and a molecular weight of 361.74 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154351
Molecular FormulaC14H18BrClN2S
Molecular Weight361.74 g/mol
Exact Mass360.01
IUPAC NameN-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(Nc2cc(Br)ccc2Cl)S1
InChIInChI=1S/C14H18BrClN2S/c1-14(2,3)7-10-8-17-13(19-10)18-12-6-9(15)4-5-11(12)16/h4-6,10H,7-8H2,1-3H3,(H,17,18)
InChIKeyFCLLYRPRAJIYOH-UHFFFAOYSA-N
XLogP5.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.74
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
N-(2-bromo-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154621
N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153718
N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107601423
3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-4-methylbenzonitrile
CID 107154266
N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153826
N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153777
4-chloro-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzonitrile
CID 107154583
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550701
N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81289779
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154602

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154351) is N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(Nc2cc(Br)ccc2Cl)S1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FCLLYRPRAJIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2S/c1-14(2,3)7-10-8-17-13(19-10)18-12-6-9(15)4-5-11(12)16/h4-6,10H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 361.74 g/mol, XLogP of 5.42, 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-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).