ethane;5-heptan-3-yl-1,3-thiazol-2-amine

C12H24N2S — CID 156888648

IUPACethane;5-heptan-3-yl-1,3-thiazol-2-amine
SMILESCC.CCCCC(CC)c1cnc(N)s1
InChIInChI=1S/C10H18N2S.C2H6/c1-3-5-6-8(4-2)9-7-12-10(11)13-9;1-2/h7-8H,3-6H2,1-2H3,(H2,11,12);1-2H3
InChIKeyQLEGVGDKIKYBJL-UHFFFAOYSA-N
MW228.40 g/mol
LogP4.44
Rot. Bonds5

About ethane;5-heptan-3-yl-1,3-thiazol-2-amine

ethane;5-heptan-3-yl-1,3-thiazol-2-amine (PubChem CID 156888648) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is ethane;5-heptan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;5-heptan-3-yl-1,3-thiazol-2-amine
PubChem CID156888648
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Nameethane;5-heptan-3-yl-1,3-thiazol-2-amine
SMILESCC.CCCCC(CC)c1cnc(N)s1
InChIInChI=1S/C10H18N2S.C2H6/c1-3-5-6-8(4-2)9-7-12-10(11)13-9;1-2/h7-8H,3-6H2,1-2H3,(H2,11,12);1-2H3
InChIKeyQLEGVGDKIKYBJL-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
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2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene
CID 67534998
5-[[butyl(methyl)amino]-(2-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 90054601
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CID 171834289
4-heptan-3-yl-2H-triazole
CID 170381797
heptan-3-ylbenzene;methane
CID 159006232
2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene
CID 129169436
CID 174020284
CID 174020284
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
4-(5-propylthiophen-2-yl)hexan-1-amine
CID 83929486

Frequently Asked Questions

What is the IUPAC name of ethane;5-heptan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of ethane;5-heptan-3-yl-1,3-thiazol-2-amine (CID 156888648) is ethane;5-heptan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;5-heptan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for ethane;5-heptan-3-yl-1,3-thiazol-2-amine is CC.CCCCC(CC)c1cnc(N)s1.
What is the InChIKey of ethane;5-heptan-3-yl-1,3-thiazol-2-amine?
The InChIKey is QLEGVGDKIKYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S.C2H6/c1-3-5-6-8(4-2)9-7-12-10(11)13-9;1-2/h7-8H,3-6H2,1-2H3,(H2,11,12);1-2H3.
What are the key properties of ethane;5-heptan-3-yl-1,3-thiazol-2-amine?
ethane;5-heptan-3-yl-1,3-thiazol-2-amine has a molecular weight of 228.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-heptan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 156888648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).