4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine

C9H11N3S — CID 82491191

IUPAC4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)[nH]1
InChIInChI=1S/C9H11N3S/c1-5-3-7(6(2)11-5)8-4-13-9(10)12-8/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyMFIVWBSTTDMFMK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.34
Rot. Bonds1

About 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine

4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 82491191) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID82491191
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)[nH]1
InChIInChI=1S/C9H11N3S/c1-5-3-7(6(2)11-5)8-4-13-9(10)12-8/h3-4,11H,1-2H3,(H2,10,12)
InChIKeyMFIVWBSTTDMFMK-UHFFFAOYSA-N
XLogP2.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine (CID 82491191) is 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)c(C)[nH]1.
What is the InChIKey of 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MFIVWBSTTDMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-5-3-7(6(2)11-5)8-4-13-9(10)12-8/h3-4,11H,1-2H3,(H2,10,12).
What are the key properties of 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 193.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82491191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).