N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine

C16H21N5S — CID 157012379

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESCCc1nccn1CCCNc1nsc2nc(C)cc(C)c12
InChIInChI=1S/C16H21N5S/c1-4-13-17-7-9-21(13)8-5-6-18-15-14-11(2)10-12(3)19-16(14)22-20-15/h7,9-10H,4-6,8H2,1-3H3,(H,18,20)
InChIKeyZMYINMASGXIJPU-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.57
Rot. Bonds6

About N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine

N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine (PubChem CID 157012379) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
PubChem CID157012379
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESCCc1nccn1CCCNc1nsc2nc(C)cc(C)c12
InChIInChI=1S/C16H21N5S/c1-4-13-17-7-9-21(13)8-5-6-18-15-14-11(2)10-12(3)19-16(14)22-20-15/h7,9-10H,4-6,8H2,1-3H3,(H,18,20)
InChIKeyZMYINMASGXIJPU-UHFFFAOYSA-N
XLogP3.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine (CID 157012379) is N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine is CCc1nccn1CCCNc1nsc2nc(C)cc(C)c12.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The InChIKey is ZMYINMASGXIJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-4-13-17-7-9-21(13)8-5-6-18-15-14-11(2)10-12(3)19-16(14)22-20-15/h7,9-10H,4-6,8H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine has a molecular weight of 315.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 157012379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).