4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

C11H14N4OS — CID 43641885

IUPAC4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1nccs1
InChIInChI=1S/C11H14N4OS/c1-7(2)15-6-8(12)5-9(15)10(16)14-11-13-3-4-17-11/h3-7H,12H2,1-2H3,(H,13,14,16)
InChIKeyCLRYCLZMCWYISH-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.36
Rot. Bonds3

About 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 43641885) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
PubChem CID43641885
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1nccs1
InChIInChI=1S/C11H14N4OS/c1-7(2)15-6-8(12)5-9(15)10(16)14-11-13-3-4-17-11/h3-7H,12H2,1-2H3,(H,13,14,16)
InChIKeyCLRYCLZMCWYISH-UHFFFAOYSA-N
XLogP2.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
4-amino-1-propan-2-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479491
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
CID 43643274
4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 43643647
1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 36916717
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43644133
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 104616606

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide (CID 43641885) is 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)Nc1nccs1.
What is the InChIKey of 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is CLRYCLZMCWYISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7(2)15-6-8(12)5-9(15)10(16)14-11-13-3-4-17-11/h3-7H,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).