N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide

C13H16N4O2S — CID 86780399

IUPACN-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)Nc2cc(C(N)=O)n(C)c2)s1
InChIInChI=1S/C13H16N4O2S/c1-7(2)13-15-5-10(20-13)12(19)16-8-4-9(11(14)18)17(3)6-8/h4-7H,1-3H3,(H2,14,18)(H,16,19)
InChIKeyFLLWLMJOROFFBO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.96
Rot. Bonds4

About N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 86780399) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID86780399
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)Nc2cc(C(N)=O)n(C)c2)s1
InChIInChI=1S/C13H16N4O2S/c1-7(2)13-15-5-10(20-13)12(19)16-8-4-9(11(14)18)17(3)6-8/h4-7H,1-3H3,(H2,14,18)(H,16,19)
InChIKeyFLLWLMJOROFFBO-UHFFFAOYSA-N
XLogP1.96
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 86780399) is N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)c1ncc(C(=O)Nc2cc(C(N)=O)n(C)c2)s1.
What is the InChIKey of N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FLLWLMJOROFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7(2)13-15-5-10(20-13)12(19)16-8-4-9(11(14)18)17(3)6-8/h4-7H,1-3H3,(H2,14,18)(H,16,19).
What are the key properties of N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-1-methylpyrrol-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86780399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).