2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C21H23N5O3S — CID 58740355

IUPAC2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCO1
InChIInChI=1S/C21H23N5O3S/c1-13-14(20(27)25-18-4-2-8-28-18)10-17(26(13)19-5-3-9-29-19)16-12-30-21(24-16)15-11-22-6-7-23-15/h6-7,10-12,18-19H,2-5,8-9H2,1H3,(H,25,27)
InChIKeyUWHIQCISFREEAI-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.55
Rot. Bonds5

About 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 58740355) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
PubChem CID58740355
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCO1
InChIInChI=1S/C21H23N5O3S/c1-13-14(20(27)25-18-4-2-8-28-18)10-17(26(13)19-5-3-9-29-19)16-12-30-21(24-16)15-11-22-6-7-23-15/h6-7,10-12,18-19H,2-5,8-9H2,1H3,(H,25,27)
InChIKeyUWHIQCISFREEAI-UHFFFAOYSA-N
XLogP3.55
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740226
N-butyl-2-methyl-1-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740222
N,1-dicyclohexyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740327
1-cyclohexyl-N-heptan-3-yl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740321
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
CID 58740314
1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide
CID 58740420
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-1-(oxolan-2-yl)pyrrole-3-carboxamide
CID 58740157
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-(cyclohexylmethyl)-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3828837
N-butyl-1-(2-methoxyethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3544455
N-[2-(cyclohexen-1-yl)ethyl]-1-(cyclohexylmethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4983884
4-(1-butyl-5-methyl-4-prop-1-en-2-ylpyrrol-2-yl)-2-pyrazin-2-yl-1,3-thiazole
CID 142919898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 58740355) is 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1c(C(=O)NC2CCCO2)cc(-c2csc(-c3cnccn3)n2)n1C1CCCO1.
What is the InChIKey of 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is UWHIQCISFREEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-13-14(20(27)25-18-4-2-8-28-18)10-17(26(13)19-5-3-9-29-19)16-12-30-21(24-16)15-11-22-6-7-23-15/h6-7,10-12,18-19H,2-5,8-9H2,1H3,(H,25,27).
What are the key properties of 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 58740355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).