N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C10H18N2S — CID 62795685

IUPACN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CC)Cc1nc(C)cs1
InChIInChI=1S/C10H18N2S/c1-4-9(11-5-2)6-10-12-8(3)7-13-10/h7,9,11H,4-6H2,1-3H3
InChIKeyWFNADRUQUKOPSQ-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 62795685) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID62795685
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CC)Cc1nc(C)cs1
InChIInChI=1S/C10H18N2S/c1-4-9(11-5-2)6-10-12-8(3)7-13-10/h7,9,11H,4-6H2,1-3H3
InChIKeyWFNADRUQUKOPSQ-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
CID 63202023
N-ethyl-5,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 62794826
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
N-ethyl-1-(1-methylimidazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 79752465
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 104801872
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796034
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796544
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105019461
1-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115900037
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 62795685) is N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is CCNC(CC)Cc1nc(C)cs1.
What is the InChIKey of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is WFNADRUQUKOPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-9(11-5-2)6-10-12-8(3)7-13-10/h7,9,11H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 62795685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).