N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C17H19BrN2S — CID 107154602

IUPACN-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc3cc(Br)ccc3c2)S1
InChIInChI=1S/C17H19BrN2S/c1-11(2)7-16-10-19-17(21-16)20-15-6-4-12-8-14(18)5-3-13(12)9-15/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,19,20)
InChIKeyZSMZAUVSHJKRDW-UHFFFAOYSA-N
MW363.32 g/mol
LogP5.53
Rot. Bonds3

About N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154602) has the molecular formula C17H19BrN2S and a molecular weight of 363.32 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154602
Molecular FormulaC17H19BrN2S
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC NameN-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc3cc(Br)ccc3c2)S1
InChIInChI=1S/C17H19BrN2S/c1-11(2)7-16-10-19-17(21-16)20-15-6-4-12-8-14(18)5-3-13(12)9-15/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,19,20)
InChIKeyZSMZAUVSHJKRDW-UHFFFAOYSA-N
XLogP5.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.32
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154602) is N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2ccc3cc(Br)ccc3c2)S1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZSMZAUVSHJKRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2S/c1-11(2)7-16-10-19-17(21-16)20-15-6-4-12-8-14(18)5-3-13(12)9-15/h3-6,8-9,11,16H,7,10H2,1-2H3,(H,19,20).
What are the key properties of N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 363.32 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).