1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine

C12H17N3S2 — CID 55241943

IUPAC1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2nc(C)sc2C)cs1
InChIInChI=1S/C12H17N3S2/c1-4-5-9(13)12-15-10(6-16-12)11-7(2)17-8(3)14-11/h6,9H,4-5,13H2,1-3H3
InChIKeyGIBBAFDNJVSVJH-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine

1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 55241943) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID55241943
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2nc(C)sc2C)cs1
InChIInChI=1S/C12H17N3S2/c1-4-5-9(13)12-15-10(6-16-12)11-7(2)17-8(3)14-11/h6,9H,4-5,13H2,1-3H3
InChIKeyGIBBAFDNJVSVJH-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine (CID 55241943) is 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine is CCCC(N)c1nc(-c2nc(C)sc2C)cs1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is GIBBAFDNJVSVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-4-5-9(13)12-15-10(6-16-12)11-7(2)17-8(3)14-11/h6,9H,4-5,13H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine?
1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 55241943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).