N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine

C12H22N2S — CID 112644277

IUPACN-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCCNCC(C)(Cc1cncs1)C(C)C
InChIInChI=1S/C12H22N2S/c1-5-13-8-12(4,10(2)3)6-11-7-14-9-15-11/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyKMPPKBUYHKGHNE-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.96
Rot. Bonds6

About N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine

N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine (PubChem CID 112644277) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
PubChem CID112644277
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
SMILESCCNCC(C)(Cc1cncs1)C(C)C
InChIInChI=1S/C12H22N2S/c1-5-13-8-12(4,10(2)3)6-11-7-14-9-15-11/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyKMPPKBUYHKGHNE-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
2-methyl-N-(2-methylpropyl)-2-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 112644099
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159298
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645544
2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112645708
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159932
1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine (CID 112644277) is N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine is CCNCC(C)(Cc1cncs1)C(C)C.
What is the InChIKey of N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
The InChIKey is KMPPKBUYHKGHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-13-8-12(4,10(2)3)6-11-7-14-9-15-11/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine?
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 112644277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).