N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine

C12H15N3S — CID 62942552

IUPACN-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-12(2,3)15-11-14-10(8-16-11)9-5-4-6-13-7-9/h4-8H,1-3H3,(H,14,15)
InChIKeyVRUKBHHYXOFIIH-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.42
Rot. Bonds2

About N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine

N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 62942552) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID62942552
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-12(2,3)15-11-14-10(8-16-11)9-5-4-6-13-7-9/h4-8H,1-3H3,(H,14,15)
InChIKeyVRUKBHHYXOFIIH-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 62942552) is N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine is CC(C)(C)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is VRUKBHHYXOFIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-12(2,3)15-11-14-10(8-16-11)9-5-4-6-13-7-9/h4-8H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62942552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).