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

C13H18N4OS — CID 63829490

IUPAC4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCCc1cscn1
InChIInChI=1S/C13H18N4OS/c1-9(2)17-6-10(14)5-12(17)13(18)15-4-3-11-7-19-8-16-11/h5-9H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyISRGYBFLNVAMTL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds5

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

4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 63829490) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
PubChem CID63829490
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCCc1cscn1
InChIInChI=1S/C13H18N4OS/c1-9(2)17-6-10(14)5-12(17)13(18)15-4-3-11-7-19-8-16-11/h5-9H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyISRGYBFLNVAMTL-UHFFFAOYSA-N
XLogP2.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 80681128
4-bromo-1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 63825722
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 106413314
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003
4-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62038962
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64519328
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 115290732
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide (CID 63829490) is 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)NCCc1cscn1.
What is the InChIKey of 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is ISRGYBFLNVAMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9(2)17-6-10(14)5-12(17)13(18)15-4-3-11-7-19-8-16-11/h5-9H,3-4,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.08, 5 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-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 63829490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).