5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine

C12H17N3S2 — CID 170209260

IUPAC5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2csc(C(C)(C)C)n2)s1
InChIInChI=1S/C12H17N3S2/c1-7-9(17-11(13-5)14-7)8-6-16-10(15-8)12(2,3)4/h6H,1-5H3,(H,13,14)
InChIKeyHCDUDWWBZUYVKG-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.91
Rot. Bonds2

About 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine

5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 170209260) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID170209260
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2csc(C(C)(C)C)n2)s1
InChIInChI=1S/C12H17N3S2/c1-7-9(17-11(13-5)14-7)8-6-16-10(15-8)12(2,3)4/h6H,1-5H3,(H,13,14)
InChIKeyHCDUDWWBZUYVKG-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 170209260) is 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(-c2csc(C(C)(C)C)n2)s1.
What is the InChIKey of 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is HCDUDWWBZUYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-7-9(17-11(13-5)14-7)8-6-16-10(15-8)12(2,3)4/h6H,1-5H3,(H,13,14).
What are the key properties of 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 170209260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).