5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine

C12H17N3S3 — CID 43250437

IUPAC5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1csc(C(C)(C)C)n1
InChIInChI=1S/C12H17N3S3/c1-7-9(18-11(13)14-7)16-5-8-6-17-10(15-8)12(2,3)4/h6H,5H2,1-4H3,(H2,13,14)
InChIKeyALLXUDQOCKSXHX-UHFFFAOYSA-N
MW299.49 g/mol
LogP4.08
Rot. Bonds3

About 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine

5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43250437) has the molecular formula C12H17N3S3 and a molecular weight of 299.49 g/mol. Its IUPAC name is 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43250437
Molecular FormulaC12H17N3S3
Molecular Weight299.49 g/mol
Exact Mass299.06
IUPAC Name5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1csc(C(C)(C)C)n1
InChIInChI=1S/C12H17N3S3/c1-7-9(18-11(13)14-7)16-5-8-6-17-10(15-8)12(2,3)4/h6H,5H2,1-4H3,(H2,13,14)
InChIKeyALLXUDQOCKSXHX-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 43250437) is 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SCc1csc(C(C)(C)C)n1.
What is the InChIKey of 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ALLXUDQOCKSXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S3/c1-7-9(18-11(13)14-7)16-5-8-6-17-10(15-8)12(2,3)4/h6H,5H2,1-4H3,(H2,13,14).
What are the key properties of 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 299.49 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43250437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).