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

C12H17N3S — CID 2120077

IUPAC4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCCCn1c(C)cc(-c2csc(N)n2)c1C
InChIInChI=1S/C12H17N3S/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyANNYAOZIWXFBSS-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.22
Rot. Bonds3

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

4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2120077) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID2120077
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine
SMILESCCCn1c(C)cc(-c2csc(N)n2)c1C
InChIInChI=1S/C12H17N3S/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyANNYAOZIWXFBSS-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.22
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-propylpyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine (CID 2120077) is 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine is CCCn1c(C)cc(-c2csc(N)n2)c1C.
What is the InChIKey of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is ANNYAOZIWXFBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine?
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.22, 3 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-propylpyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2120077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).