4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline

C15H19N3S — CID 43667854

IUPAC4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
SMILESCC(C)N1CCc2nc(-c3ccc(N)cc3)sc2C1
InChIInChI=1S/C15H19N3S/c1-10(2)18-8-7-13-14(9-18)19-15(17-13)11-3-5-12(16)6-4-11/h3-6,10H,7-9,16H2,1-2H3
InChIKeyAVIMAASTFWWNIW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.16
Rot. Bonds2

About 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline

4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline (PubChem CID 43667854) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
PubChem CID43667854
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
SMILESCC(C)N1CCc2nc(-c3ccc(N)cc3)sc2C1
InChIInChI=1S/C15H19N3S/c1-10(2)18-8-7-13-14(9-18)19-15(17-13)11-3-5-12(16)6-4-11/h3-6,10H,7-9,16H2,1-2H3
InChIKeyAVIMAASTFWWNIW-UHFFFAOYSA-N
XLogP3.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline?
The IUPAC name of 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline (CID 43667854) is 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline.
What is the SMILES notation for 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline?
The canonical SMILES for 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline is CC(C)N1CCc2nc(-c3ccc(N)cc3)sc2C1.
What is the InChIKey of 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline?
The InChIKey is AVIMAASTFWWNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(2)18-8-7-13-14(9-18)19-15(17-13)11-3-5-12(16)6-4-11/h3-6,10H,7-9,16H2,1-2H3.
What are the key properties of 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline?
4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline has a molecular weight of 273.40 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline is sourced from PubChem (CID 43667854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).