1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide

C24H30N4O2S — CID 5175191

IUPAC1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCCCn1c(-c2csc(-c3ccc(C)nc3)n2)cc(C(=O)NCC2CCCO2)c1C
InChIInChI=1S/C24H30N4O2S/c1-4-5-10-28-17(3)20(23(29)26-14-19-7-6-11-30-19)12-22(28)21-15-31-24(27-21)18-9-8-16(2)25-13-18/h8-9,12-13,15,19H,4-7,10-11,14H2,1-3H3,(H,26,29)
InChIKeyWTYNCPOGHSFJGT-UHFFFAOYSA-N
MW438.60 g/mol
LogP5.00
Rot. Bonds8

About 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide

1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 5175191) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID5175191
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCCCn1c(-c2csc(-c3ccc(C)nc3)n2)cc(C(=O)NCC2CCCO2)c1C
InChIInChI=1S/C24H30N4O2S/c1-4-5-10-28-17(3)20(23(29)26-14-19-7-6-11-30-19)12-22(28)21-15-31-24(27-21)18-9-8-16(2)25-13-18/h8-9,12-13,15,19H,4-7,10-11,14H2,1-3H3,(H,26,29)
InChIKeyWTYNCPOGHSFJGT-UHFFFAOYSA-N
XLogP5.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide (CID 5175191) is 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide is CCCCn1c(-c2csc(-c3ccc(C)nc3)n2)cc(C(=O)NCC2CCCO2)c1C.
What is the InChIKey of 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is WTYNCPOGHSFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-4-5-10-28-17(3)20(23(29)26-14-19-7-6-11-30-19)12-22(28)21-15-31-24(27-21)18-9-8-16(2)25-13-18/h8-9,12-13,15,19H,4-7,10-11,14H2,1-3H3,(H,26,29).
What are the key properties of 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide?
1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 5175191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).