4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine

C13H18N2S2 — CID 62961002

IUPAC4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
SMILESCCCC(Nc1nc(CC)cs1)c1cccs1
InChIInChI=1S/C13H18N2S2/c1-3-6-11(12-7-5-8-16-12)15-13-14-10(4-2)9-17-13/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLNDQRKSJUAFDKA-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.72
Rot. Bonds6

About 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine

4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine (PubChem CID 62961002) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
PubChem CID62961002
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
SMILESCCCC(Nc1nc(CC)cs1)c1cccs1
InChIInChI=1S/C13H18N2S2/c1-3-6-11(12-7-5-8-16-12)15-13-14-10(4-2)9-17-13/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLNDQRKSJUAFDKA-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970644
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 79528939
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine (CID 62961002) is 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine is CCCC(Nc1nc(CC)cs1)c1cccs1.
What is the InChIKey of 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine?
The InChIKey is LNDQRKSJUAFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-6-11(12-7-5-8-16-12)15-13-14-10(4-2)9-17-13/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine?
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine has a molecular weight of 266.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62961002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).