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

C11H20N2S — CID 115726922

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H20N2S/c1-5-6-8(2)13-10(4)11-12-7-9(3)14-11/h7-8,10,13H,5-6H2,1-4H3
InChIKeyCDSSWDAENNIVGV-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.29
Rot. Bonds5

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine (PubChem CID 115726922) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
PubChem CID115726922
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H20N2S/c1-5-6-8(2)13-10(4)11-12-7-9(3)14-11/h7-8,10,13H,5-6H2,1-4H3
InChIKeyCDSSWDAENNIVGV-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 115726990
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726880
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115688389
2-hexan-2-yl-5-methyl-1,3-thiazole
CID 166727410
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
CID 104578195
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726973
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine (CID 115726922) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1ncc(C)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine?
The InChIKey is CDSSWDAENNIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-6-8(2)13-10(4)11-12-7-9(3)14-11/h7-8,10,13H,5-6H2,1-4H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 115726922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).