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

C8H14ClN3S — CID 81493193

IUPACN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1cnc(Cl)s1
InChIInChI=1S/C8H14ClN3S/c1-12(4-2-3-10)6-7-5-11-8(9)13-7/h5H,2-4,6,10H2,1H3
InChIKeyBEHYQTPWCBOAOE-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.58
Rot. Bonds5

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

N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 81493193) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID81493193
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC NameN'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1cnc(Cl)s1
InChIInChI=1S/C8H14ClN3S/c1-12(4-2-3-10)6-7-5-11-8(9)13-7/h5H,2-4,6,10H2,1H3
InChIKeyBEHYQTPWCBOAOE-UHFFFAOYSA-N
XLogP1.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
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'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine (CID 81493193) is N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine is CN(CCCN)Cc1cnc(Cl)s1.
What is the InChIKey of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is BEHYQTPWCBOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3S/c1-12(4-2-3-10)6-7-5-11-8(9)13-7/h5H,2-4,6,10H2,1H3.
What are the key properties of N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 219.74 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 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'-methylpropane-1,3-diamine is sourced from PubChem (CID 81493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).