4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

C14H19N3O2S — CID 47265588

IUPAC4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC2=NCCS2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H19N3O2S/c1-4-5-10-11(9(3)18)8(2)16-12(10)13(19)17-14-15-6-7-20-14/h16H,4-7H2,1-3H3,(H,15,17,19)
InChIKeyUXYWQHNHXLWHHJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.31
Rot. Bonds4

About 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 47265588) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID47265588
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC2=NCCS2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C14H19N3O2S/c1-4-5-10-11(9(3)18)8(2)16-12(10)13(19)17-14-15-6-7-20-14/h16H,4-7H2,1-3H3,(H,15,17,19)
InChIKeyUXYWQHNHXLWHHJ-UHFFFAOYSA-N
XLogP2.31
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide (CID 47265588) is 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)NC2=NCCS2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is UXYWQHNHXLWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-5-10-11(9(3)18)8(2)16-12(10)13(19)17-14-15-6-7-20-14/h16H,4-7H2,1-3H3,(H,15,17,19).
What are the key properties of 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47265588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).