acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine

C14H15N3OS2 — CID 145201737

IUPACacetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine
SMILESCC=O.CNc1sc(C)cc1-c1nc2cnccc2s1
InChIInChI=1S/C12H11N3S2.C2H4O/c1-7-5-8(11(13-2)16-7)12-15-9-6-14-4-3-10(9)17-12;1-2-3/h3-6,13H,1-2H3;2H,1H3
InChIKeyCGJCFKRTUUIINR-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.98
Rot. Bonds2

About acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine

acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine (PubChem CID 145201737) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine.

Molecular Properties

Compound Nameacetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine
PubChem CID145201737
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Nameacetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine
SMILESCC=O.CNc1sc(C)cc1-c1nc2cnccc2s1
InChIInChI=1S/C12H11N3S2.C2H4O/c1-7-5-8(11(13-2)16-7)12-15-9-6-14-4-3-10(9)17-12;1-2-3/h3-6,13H,1-2H3;2H,1H3
InChIKeyCGJCFKRTUUIINR-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine?
The IUPAC name of acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine (CID 145201737) is acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine.
What is the SMILES notation for acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine?
The canonical SMILES for acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine is CC=O.CNc1sc(C)cc1-c1nc2cnccc2s1.
What is the InChIKey of acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine?
The InChIKey is CGJCFKRTUUIINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2.C2H4O/c1-7-5-8(11(13-2)16-7)12-15-9-6-14-4-3-10(9)17-12;1-2-3/h3-6,13H,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine?
acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine has a molecular weight of 305.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N,5-dimethyl-3-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine is sourced from PubChem (CID 145201737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).