N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine

C13H22N2S — CID 115713252

IUPACN-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCc1nc(C)c(C(C)NCC2CCC2)s1
InChIInChI=1S/C13H22N2S/c1-4-12-15-10(3)13(16-12)9(2)14-8-11-6-5-7-11/h9,11,14H,4-8H2,1-3H3
InChIKeyDQGWHFWCXZXMPX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.46
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine

N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 115713252) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID115713252
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCc1nc(C)c(C(C)NCC2CCC2)s1
InChIInChI=1S/C13H22N2S/c1-4-12-15-10(3)13(16-12)9(2)14-8-11-6-5-7-11/h9,11,14H,4-8H2,1-3H3
InChIKeyDQGWHFWCXZXMPX-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine (CID 115713252) is N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine is CCc1nc(C)c(C(C)NCC2CCC2)s1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is DQGWHFWCXZXMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-12-15-10(3)13(16-12)9(2)14-8-11-6-5-7-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine?
N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115713252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).