N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H24N2S2 — CID 82429278

IUPACN-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CSC(C)C)sc1CNC(C)C
InChIInChI=1S/C13H24N2S2/c1-6-11-12(7-14-9(2)3)17-13(15-11)8-16-10(4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyYQKQTQFDMKUQDA-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.85
Rot. Bonds7

About N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82429278) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82429278
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC NameN-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CSC(C)C)sc1CNC(C)C
InChIInChI=1S/C13H24N2S2/c1-6-11-12(7-14-9(2)3)17-13(15-11)8-16-10(4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyYQKQTQFDMKUQDA-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841683
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82429290
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432115
N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-ethyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429699
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82428480
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841630
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429293
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
N-[[4-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429024

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82429278) is N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(CSC(C)C)sc1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is YQKQTQFDMKUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-6-11-12(7-14-9(2)3)17-13(15-11)8-16-10(4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82429278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).