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

C10H16N2S — CID 104863071

IUPACN-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine
SMILESCCNCC(=Cc1cscn1)CC
InChIInChI=1S/C10H16N2S/c1-3-9(6-11-4-2)5-10-7-13-8-12-10/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyLHVYHIJOZDJPQD-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.55
Rot. Bonds5

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

N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine (PubChem CID 104863071) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine
PubChem CID104863071
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine
SMILESCCNCC(=Cc1cscn1)CC
InChIInChI=1S/C10H16N2S/c1-3-9(6-11-4-2)5-10-7-13-8-12-10/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyLHVYHIJOZDJPQD-UHFFFAOYSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
CID 19018573
4-(2-Fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole
CID 69076811
4-(6-Fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole
CID 69080706
4-(2-Fluoro-1,2-dihydropyridin-4-yl)-1,3-thiazole
CID 89901353
4-(2-Fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole
CID 129289732
(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-amine
CID 12080799
2-Methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole;dihydrochloride
CID 19018572
(3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-amine
CID 53706551
N-[(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl]pentadecan-1-amine
CID 58720245
4-[(E)-3-methylbut-1-enyl]-1,3-thiazole
CID 59026994
[4-[(E)-2,3-dimethylbut-1-enyl]-1,3-thiazol-2-yl]methanamine
CID 59922924
(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-amine
CID 59990606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine?
The IUPAC name of N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine (CID 104863071) is N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine?
The canonical SMILES for N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine is CCNCC(=Cc1cscn1)CC.
What is the InChIKey of N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine?
The InChIKey is LHVYHIJOZDJPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-9(6-11-4-2)5-10-7-13-8-12-10/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine?
N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,3-thiazol-4-ylmethylidene)butan-1-amine is sourced from PubChem (CID 104863071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).