4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine

C16H17N3S — CID 2416527

IUPAC4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)n1Cc1ccccc1
InChIInChI=1S/C16H17N3S/c1-11-8-14(15-10-20-16(17)18-15)12(2)19(11)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H2,17,18)
InChIKeyQOBHSCNDKUQIAL-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.86
Rot. Bonds3

About 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine

4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2416527) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID2416527
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)n1Cc1ccccc1
InChIInChI=1S/C16H17N3S/c1-11-8-14(15-10-20-16(17)18-15)12(2)19(11)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H2,17,18)
InChIKeyQOBHSCNDKUQIAL-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine (CID 2416527) is 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccccc1.
What is the InChIKey of 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QOBHSCNDKUQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-8-14(15-10-20-16(17)18-15)12(2)19(11)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H2,17,18).
What are the key properties of 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine?
4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2416527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).