ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine

C14H21N5OS — CID 172631002

IUPACethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine
SMILESCC.COc1cc2ncc(/N=C/C(N)=C\N)n2cc1SC
InChIInChI=1S/C12H15N5OS.C2H6/c1-18-9-3-11-16-6-12(15-5-8(14)4-13)17(11)7-10(9)19-2;1-2/h3-7H,13-14H2,1-2H3;1-2H3/b8-4+,15-5+;
InChIKeyLUNLYDREPKRVNJ-KCRLRCBXSA-N
MW307.42 g/mol
LogP2.55
Rot. Bonds4

About ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine

ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine (PubChem CID 172631002) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Nameethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine
PubChem CID172631002
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Nameethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine
SMILESCC.COc1cc2ncc(/N=C/C(N)=C\N)n2cc1SC
InChIInChI=1S/C12H15N5OS.C2H6/c1-18-9-3-11-16-6-12(15-5-8(14)4-13)17(11)7-10(9)19-2;1-2/h3-7H,13-14H2,1-2H3;1-2H3/b8-4+,15-5+;
InChIKeyLUNLYDREPKRVNJ-KCRLRCBXSA-N
XLogP2.55
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
CID 170616408
6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 170616482
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
6-chloro-7-methoxyimidazo[1,2-a]pyridin-3-amine
CID 130065573
(E)-1-amino-N-[3-fluoro-5-[6-(4-fluoro-1-methylpiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-methoxyphenyl]-3-methyliminoprop-1-ene-2-sulfinamide
CID 178094106
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679
(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol
CID 169098659
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(E)-cyclobutyl(ethylidene)-λ4-sulfanyl]-3-fluoro-2-methoxyaniline
CID 178093965
[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
CID 172631516
5-(7-aminoimidazo[1,2-a]pyridin-3-yl)-3-methoxythiophene-2-carboxamide
CID 143517738

Frequently Asked Questions

What is the IUPAC name of ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine?
The IUPAC name of ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine (CID 172631002) is ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine.
What is the SMILES notation for ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine?
The canonical SMILES for ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine is CC.COc1cc2ncc(/N=C/C(N)=C\N)n2cc1SC.
What is the InChIKey of ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine?
The InChIKey is LUNLYDREPKRVNJ-KCRLRCBXSA-N. The full InChI is InChI=1S/C12H15N5OS.C2H6/c1-18-9-3-11-16-6-12(15-5-8(14)4-13)17(11)7-10(9)19-2;1-2/h3-7H,13-14H2,1-2H3;1-2H3/b8-4+,15-5+;.
What are the key properties of ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine?
ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine has a molecular weight of 307.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,3E)-3-(7-methoxy-6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)iminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 172631002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).