N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine

C11H15N3S — CID 79046859

IUPACN-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCCn1ccc(CNc2nccs2)c1
InChIInChI=1S/C11H15N3S/c1-2-5-14-6-3-10(9-14)8-13-11-12-4-7-15-11/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)
InChIKeySVIXGUIYKOCADZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.97
Rot. Bonds5

About N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine

N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79046859) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79046859
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCCn1ccc(CNc2nccs2)c1
InChIInChI=1S/C11H15N3S/c1-2-5-14-6-3-10(9-14)8-13-11-12-4-7-15-11/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13)
InChIKeySVIXGUIYKOCADZ-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (CID 79046859) is N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is CCCn1ccc(CNc2nccs2)c1.
What is the InChIKey of N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SVIXGUIYKOCADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-5-14-6-3-10(9-14)8-13-11-12-4-7-15-11/h3-4,6-7,9H,2,5,8H2,1H3,(H,12,13).
What are the key properties of N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79046859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).