ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine

C17H18N6S — CID 153383714

IUPACethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESC=C.CNc1nc2c(s1)N=C(c1ccc(-n3ccnc3)cn1)CC2
InChIInChI=1S/C15H14N6S.C2H4/c1-16-15-20-13-5-4-12(19-14(13)22-15)11-3-2-10(8-18-11)21-7-6-17-9-21;1-2/h2-3,6-9H,4-5H2,1H3,(H,16,20);1-2H2
InChIKeyGGOBRWGGGSUWOD-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.63
Rot. Bonds3

About ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine

ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 153383714) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Nameethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID153383714
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Nameethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESC=C.CNc1nc2c(s1)N=C(c1ccc(-n3ccnc3)cn1)CC2
InChIInChI=1S/C15H14N6S.C2H4/c1-16-15-20-13-5-4-12(19-14(13)22-15)11-3-2-10(8-18-11)21-7-6-17-9-21;1-2/h2-3,6-9H,4-5H2,1H3,(H,16,20);1-2H2
InChIKeyGGOBRWGGGSUWOD-UHFFFAOYSA-N
XLogP3.63
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-imidazol-1-yl-N-methylpyridin-2-amine
CID 169237763
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5-imidazol-1-yl-2-prop-1-en-2-ylpyridine
CID 163257634
2-bromo-5-imidazol-1-ylpyridine
CID 66521352
N-ethyl-1-(5-imidazol-1-yl-2-pyridinyl)ethanamine
CID 83127254
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658
N'-(5-imidazol-1-yl-2-pyridinyl)methanimidamide
CID 169237768
1-(4-imidazol-1-ylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584180
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
N-(1,4-dithian-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)ethanamine
CID 115727375
(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092939

Frequently Asked Questions

What is the IUPAC name of ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 153383714) is ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine is C=C.CNc1nc2c(s1)N=C(c1ccc(-n3ccnc3)cn1)CC2.
What is the InChIKey of ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is GGOBRWGGGSUWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S.C2H4/c1-16-15-20-13-5-4-12(19-14(13)22-15)11-3-2-10(8-18-11)21-7-6-17-9-21;1-2/h2-3,6-9H,4-5H2,1H3,(H,16,20);1-2H2.
What are the key properties of ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 338.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-(5-imidazol-1-yl-2-pyridinyl)-N-methyl-6,7-dihydro-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 153383714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).