N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine

C8H13ClN2OS — CID 102795118

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2OS/c1-6(12-2)3-10-5-8-11-4-7(9)13-8/h4,6,10H,3,5H2,1-2H3
InChIKeyRKNLXYOKKLXGKM-UHFFFAOYSA-N
MW220.72 g/mol
LogP1.92
Rot. Bonds5

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine (PubChem CID 102795118) has the molecular formula C8H13ClN2OS and a molecular weight of 220.72 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine
PubChem CID102795118
Molecular FormulaC8H13ClN2OS
Molecular Weight220.72 g/mol
Exact Mass220.04
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2OS/c1-6(12-2)3-10-5-8-11-4-7(9)13-8/h4,6,10H,3,5H2,1-2H3
InChIKeyRKNLXYOKKLXGKM-UHFFFAOYSA-N
XLogP1.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine (CID 102795118) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine is COC(C)CNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine?
The InChIKey is RKNLXYOKKLXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2OS/c1-6(12-2)3-10-5-8-11-4-7(9)13-8/h4,6,10H,3,5H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine has a molecular weight of 220.72 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine is sourced from PubChem (CID 102795118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).