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

C9H11N3S2 — CID 131701578

IUPAC5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1nc(-c2cnc(N)s2)cs1
InChIInChI=1S/C9H11N3S2/c1-5(2)8-12-6(4-13-8)7-3-11-9(10)14-7/h3-5H,1-2H3,(H2,10,11)
InChIKeyRXURHIMMQREQFN-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.97
Rot. Bonds2

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

5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 131701578) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
PubChem CID131701578
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1nc(-c2cnc(N)s2)cs1
InChIInChI=1S/C9H11N3S2/c1-5(2)8-12-6(4-13-8)7-3-11-9(10)14-7/h3-5H,1-2H3,(H2,10,11)
InChIKeyRXURHIMMQREQFN-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine (CID 131701578) is 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine is CC(C)c1nc(-c2cnc(N)s2)cs1.
What is the InChIKey of 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is RXURHIMMQREQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-5(2)8-12-6(4-13-8)7-3-11-9(10)14-7/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine?
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131701578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).