N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine

C14H19N3O2S2 — CID 63120598

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCC(C)(C)c1ncc(CNc2ccc(S(C)(=O)=O)nc2)s1
InChIInChI=1S/C14H19N3O2S2/c1-14(2,3)13-17-9-11(20-13)8-15-10-5-6-12(16-7-10)21(4,18)19/h5-7,9,15H,8H2,1-4H3
InChIKeyHQIYBQMKYHVGFZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 63120598) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID63120598
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCC(C)(C)c1ncc(CNc2ccc(S(C)(=O)=O)nc2)s1
InChIInChI=1S/C14H19N3O2S2/c1-14(2,3)13-17-9-11(20-13)8-15-10-5-6-12(16-7-10)21(4,18)19/h5-7,9,15H,8H2,1-4H3
InChIKeyHQIYBQMKYHVGFZ-UHFFFAOYSA-N
XLogP2.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine (CID 63120598) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine is CC(C)(C)c1ncc(CNc2ccc(S(C)(=O)=O)nc2)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is HQIYBQMKYHVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-14(2,3)13-17-9-11(20-13)8-15-10-5-6-12(16-7-10)21(4,18)19/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 325.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 63120598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).