4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine

C12H17N3S — CID 6497123

IUPAC4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)n1C(C)C
InChIInChI=1S/C12H17N3S/c1-7(2)15-8(3)5-10(9(15)4)11-6-16-12(13)14-11/h5-7H,1-4H3,(H2,13,14)
InChIKeyFUFTXOZUCJIHAJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.39
Rot. Bonds2

About 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine

4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 6497123) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID6497123
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)n1C(C)C
InChIInChI=1S/C12H17N3S/c1-7(2)15-8(3)5-10(9(15)4)11-6-16-12(13)14-11/h5-7H,1-4H3,(H2,13,14)
InChIKeyFUFTXOZUCJIHAJ-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine (CID 6497123) is 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)c(C)n1C(C)C.
What is the InChIKey of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is FUFTXOZUCJIHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-7(2)15-8(3)5-10(9(15)4)11-6-16-12(13)14-11/h5-7H,1-4H3,(H2,13,14).
What are the key properties of 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine?
4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6497123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).