4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole

C12H14N2S — CID 61482324

IUPAC4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
SMILESCc1ccc(C)n1-c1nc(C2CC2)cs1
InChIInChI=1S/C12H14N2S/c1-8-3-4-9(2)14(8)12-13-11(7-15-12)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyDTUMPSYFYRGYJC-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.43
Rot. Bonds2

About 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole

4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole (PubChem CID 61482324) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
PubChem CID61482324
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
SMILESCc1ccc(C)n1-c1nc(C2CC2)cs1
InChIInChI=1S/C12H14N2S/c1-8-3-4-9(2)14(8)12-13-11(7-15-12)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3
InChIKeyDTUMPSYFYRGYJC-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole (CID 61482324) is 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole is Cc1ccc(C)n1-c1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
The InChIKey is DTUMPSYFYRGYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-8-3-4-9(2)14(8)12-13-11(7-15-12)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole has a molecular weight of 218.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole is sourced from PubChem (CID 61482324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).