N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine

C9H16BrN3S — CID 79399304

IUPACN'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1nc(Br)cs1
InChIInChI=1S/C9H16BrN3S/c1-12(2)5-4-6-13(3)9-11-8(10)7-14-9/h7H,4-6H2,1-3H3
InChIKeyVOMZRAZWBOYJLH-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.29
Rot. Bonds5

About N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 79399304) has the molecular formula C9H16BrN3S and a molecular weight of 278.22 g/mol. Its IUPAC name is N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID79399304
Molecular FormulaC9H16BrN3S
Molecular Weight278.22 g/mol
Exact Mass277.02
IUPAC NameN'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1nc(Br)cs1
InChIInChI=1S/C9H16BrN3S/c1-12(2)5-4-6-13(3)9-11-8(10)7-14-9/h7H,4-6H2,1-3H3
InChIKeyVOMZRAZWBOYJLH-UHFFFAOYSA-N
XLogP2.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine (CID 79399304) is N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1nc(Br)cs1.
What is the InChIKey of N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is VOMZRAZWBOYJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3S/c1-12(2)5-4-6-13(3)9-11-8(10)7-14-9/h7H,4-6H2,1-3H3.
What are the key properties of N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 278.22 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1,3-thiazol-2-yl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79399304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).