4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine

C13H23N3OS — CID 82753671

IUPAC4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)C2CCOC2C)n1
InChIInChI=1S/C13H23N3OS/c1-5-14-9(2)11-8-18-13(15-11)16(4)12-6-7-17-10(12)3/h8-10,12,14H,5-7H2,1-4H3
InChIKeyBRJROBNJMYLIDF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.43
Rot. Bonds5

About 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine

4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82753671) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82753671
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)C2CCOC2C)n1
InChIInChI=1S/C13H23N3OS/c1-5-14-9(2)11-8-18-13(15-11)16(4)12-6-7-17-10(12)3/h8-10,12,14H,5-7H2,1-4H3
InChIKeyBRJROBNJMYLIDF-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 83157100
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64544590
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 64543352
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640
N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 82734715
N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64544356
4-[1-(ethylamino)ethyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544155

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine (CID 82753671) is 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)C2CCOC2C)n1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BRJROBNJMYLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-14-9(2)11-8-18-13(15-11)16(4)12-6-7-17-10(12)3/h8-10,12,14H,5-7H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine?
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82753671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).