4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide

C13H18N4OS — CID 63238946

IUPAC4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCc1nccs1
InChIInChI=1S/C13H18N4OS/c1-2-6-17-9-10(14)8-11(17)13(18)16-4-3-12-15-5-7-19-12/h5,7-9H,2-4,6,14H2,1H3,(H,16,18)
InChIKeySQFTWGNAHUQHMQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.91
Rot. Bonds6

About 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide

4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 63238946) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
PubChem CID63238946
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCc1nccs1
InChIInChI=1S/C13H18N4OS/c1-2-6-17-9-10(14)8-11(17)13(18)16-4-3-12-15-5-7-19-12/h5,7-9H,2-4,6,14H2,1H3,(H,16,18)
InChIKeySQFTWGNAHUQHMQ-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106391701
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106413341
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 110461892
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide (CID 63238946) is 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCc1nccs1.
What is the InChIKey of 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is SQFTWGNAHUQHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-6-17-9-10(14)8-11(17)13(18)16-4-3-12-15-5-7-19-12/h5,7-9H,2-4,6,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 63238946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).