ethane;1-(1,3-thiazol-2-yl)propan-1-amine

C8H16N2S — CID 170585159

IUPACethane;1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC.CCC(N)c1nccs1
InChIInChI=1S/C6H10N2S.C2H6/c1-2-5(7)6-8-3-4-9-6;1-2/h3-5H,2,7H2,1H3;1-2H3
InChIKeyWQNMEWTWLHESHT-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.58
Rot. Bonds2

About ethane;1-(1,3-thiazol-2-yl)propan-1-amine

ethane;1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 170585159) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is ethane;1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID170585159
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Nameethane;1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC.CCC(N)c1nccs1
InChIInChI=1S/C6H10N2S.C2H6/c1-2-5(7)6-8-3-4-9-6;1-2/h3-5H,2,7H2,1H3;1-2H3
InChIKeyWQNMEWTWLHESHT-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of ethane;1-(1,3-thiazol-2-yl)propan-1-amine (CID 170585159) is ethane;1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for ethane;1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for ethane;1-(1,3-thiazol-2-yl)propan-1-amine is CC.CCC(N)c1nccs1.
What is the InChIKey of ethane;1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is WQNMEWTWLHESHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.C2H6/c1-2-5(7)6-8-3-4-9-6;1-2/h3-5H,2,7H2,1H3;1-2H3.
What are the key properties of ethane;1-(1,3-thiazol-2-yl)propan-1-amine?
ethane;1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 172.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 170585159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).