N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

C10H18ClN3S — CID 79764595

IUPACN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3S/c1-13(2)5-4-6-14(3)8-9-7-12-10(11)15-9/h7H,4-6,8H2,1-3H3
InChIKeyLBHXXCGNAMCPKL-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.18
Rot. Bonds6

About N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 79764595) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID79764595
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC NameN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3S/c1-13(2)5-4-6-14(3)8-9-7-12-10(11)15-9/h7H,4-6,8H2,1-3H3
InChIKeyLBHXXCGNAMCPKL-UHFFFAOYSA-N
XLogP2.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 79764595) is N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1cnc(Cl)s1.
What is the InChIKey of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is LBHXXCGNAMCPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3S/c1-13(2)5-4-6-14(3)8-9-7-12-10(11)15-9/h7H,4-6,8H2,1-3H3.
What are the key properties of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 247.79 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79764595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).