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

C10H18N2S — CID 61333036

IUPAC2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(CC)C(N)c1nc(C)cs1
InChIInChI=1S/C10H18N2S/c1-4-8(5-2)9(11)10-12-7(3)6-13-10/h6,8-9H,4-5,11H2,1-3H3
InChIKeyQOKHIIAJIOHGQH-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.89
Rot. Bonds4

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

2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 61333036) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID61333036
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(CC)C(N)c1nc(C)cs1
InChIInChI=1S/C10H18N2S/c1-4-8(5-2)9(11)10-12-7(3)6-13-10/h6,8-9H,4-5,11H2,1-3H3
InChIKeyQOKHIIAJIOHGQH-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
(1S)-3,3,3-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 104941052
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 113328486

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine (CID 61333036) is 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is CCC(CC)C(N)c1nc(C)cs1.
What is the InChIKey of 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is QOKHIIAJIOHGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-8(5-2)9(11)10-12-7(3)6-13-10/h6,8-9H,4-5,11H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine?
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 61333036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).