2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide

C15H20N2OS2 — CID 58048573

IUPAC2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
SMILESCc1ncc(C(NS(=O)C(C)(C)C)c2ccccc2)s1
InChIInChI=1S/C15H20N2OS2/c1-11-16-10-13(19-11)14(12-8-6-5-7-9-12)17-20(18)15(2,3)4/h5-10,14,17H,1-4H3
InChIKeyFZXHLIRNVRUUIU-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide

2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide (PubChem CID 58048573) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
PubChem CID58048573
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide
SMILESCc1ncc(C(NS(=O)C(C)(C)C)c2ccccc2)s1
InChIInChI=1S/C15H20N2OS2/c1-11-16-10-13(19-11)14(12-8-6-5-7-9-12)17-20(18)15(2,3)4/h5-10,14,17H,1-4H3
InChIKeyFZXHLIRNVRUUIU-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide (CID 58048573) is 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide is Cc1ncc(C(NS(=O)C(C)(C)C)c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide?
The InChIKey is FZXHLIRNVRUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-11-16-10-13(19-11)14(12-8-6-5-7-9-12)17-20(18)15(2,3)4/h5-10,14,17H,1-4H3.
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide?
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide has a molecular weight of 308.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)-phenylmethyl]propane-2-sulfinamide is sourced from PubChem (CID 58048573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).