5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine

C12H16ClN3S2 — CID 79771653

IUPAC5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(C)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C12H16ClN3S2/c1-3-14-12-15-6-10(18-12)8-16(2)7-9-4-5-11(13)17-9/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyIMRUILYLQFDLIA-UHFFFAOYSA-N
MW301.87 g/mol
LogP3.92
Rot. Bonds6

About 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine

5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79771653) has the molecular formula C12H16ClN3S2 and a molecular weight of 301.87 g/mol. Its IUPAC name is 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79771653
Molecular FormulaC12H16ClN3S2
Molecular Weight301.87 g/mol
Exact Mass301.05
IUPAC Name5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(C)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C12H16ClN3S2/c1-3-14-12-15-6-10(18-12)8-16(2)7-9-4-5-11(13)17-9/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyIMRUILYLQFDLIA-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine (CID 79771653) is 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(CN(C)Cc2ccc(Cl)s2)s1.
What is the InChIKey of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is IMRUILYLQFDLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S2/c1-3-14-12-15-6-10(18-12)8-16(2)7-9-4-5-11(13)17-9/h4-6H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 301.87 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79771653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).