4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole

C19H22N4S — CID 142919898

IUPAC4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole
SMILESC=C(C)c1cc(-c2csc(-c3cnccn3)n2)n(CCCC)c1C
InChIInChI=1S/C19H22N4S/c1-5-6-9-23-14(4)15(13(2)3)10-18(23)17-12-24-19(22-17)16-11-20-7-8-21-16/h7-8,10-12H,2,5-6,9H2,1,3-4H3
InChIKeyJVGADVAKZWHWAR-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.21
Rot. Bonds6

About 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole

4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 142919898) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole
PubChem CID142919898
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole
SMILESC=C(C)c1cc(-c2csc(-c3cnccn3)n2)n(CCCC)c1C
InChIInChI=1S/C19H22N4S/c1-5-6-9-23-14(4)15(13(2)3)10-18(23)17-12-24-19(22-17)16-11-20-7-8-21-16/h7-8,10-12H,2,5-6,9H2,1,3-4H3
InChIKeyJVGADVAKZWHWAR-UHFFFAOYSA-N
XLogP5.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-(2-methoxyethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3544455
N-butan-2-yl-1-(3-methoxypropyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3487567
1-[(4-chlorophenyl)methyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3858700
1-(cyclohexylmethyl)-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3828837
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3859548
N-butyl-2-methyl-1-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740222
1-cyclohexyl-N-heptan-3-yl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740321
N-butan-2-yl-1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3864403
N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740327
2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740355
4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole
CID 60529037
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4983813

Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole (CID 142919898) is 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole is C=C(C)c1cc(-c2csc(-c3cnccn3)n2)n(CCCC)c1C.
What is the InChIKey of 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is JVGADVAKZWHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-5-6-9-23-14(4)15(13(2)3)10-18(23)17-12-24-19(22-17)16-11-20-7-8-21-16/h7-8,10-12H,2,5-6,9H2,1,3-4H3.
What are the key properties of 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole?
4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 338.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 142919898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).