N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine

C19H23N5OS — CID 167047220

IUPACN-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESC=CCCOc1nc(-c2sc(CNCC)nc2C2CC2)cn2ccnc12
InChIInChI=1S/C19H23N5OS/c1-3-5-10-25-19-18-21-8-9-24(18)12-14(22-19)17-16(13-6-7-13)23-15(26-17)11-20-4-2/h3,8-9,12-13,20H,1,4-7,10-11H2,2H3
InChIKeyJACYYDNDUIUBEP-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.79
Rot. Bonds9

About N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine

N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 167047220) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID167047220
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESC=CCCOc1nc(-c2sc(CNCC)nc2C2CC2)cn2ccnc12
InChIInChI=1S/C19H23N5OS/c1-3-5-10-25-19-18-21-8-9-24(18)12-14(22-19)17-16(13-6-7-13)23-15(26-17)11-20-4-2/h3,8-9,12-13,20H,1,4-7,10-11H2,2H3
InChIKeyJACYYDNDUIUBEP-UHFFFAOYSA-N
XLogP3.79
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
CID 163278852
1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
CID 163278078
tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate
CID 163278689
6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
CID 79956193
N-ethyl-8-(3-methylbut-3-enoxy)imidazo[1,2-a]pyrazin-6-amine
CID 114471238
8-(2-cyclopropylethoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 106207574
N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367103
N-ethyl-8-(4-methylpentoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80862180
(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278965
4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine
CID 163278334
(8-hexoxyimidazo[1,2-a]pyrazin-6-yl)hydrazine
CID 80909859
8-N-(1-cyclopropylethyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80782305

Frequently Asked Questions

What is the IUPAC name of N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine (CID 167047220) is N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine is C=CCCOc1nc(-c2sc(CNCC)nc2C2CC2)cn2ccnc12.
What is the InChIKey of N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is JACYYDNDUIUBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-5-10-25-19-18-21-8-9-24(18)12-14(22-19)17-16(13-6-7-13)23-15(26-17)11-20-4-2/h3,8-9,12-13,20H,1,4-7,10-11H2,2H3.
What are the key properties of N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 369.49 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 167047220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).