4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole

C14H18N2O2S2 — CID 122140520

IUPAC4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole
SMILESCC(C)(C)CS(=O)(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H18N2O2S2/c1-14(2,3)10-20(17,18)9-11-8-19-13(16-11)12-6-4-5-7-15-12/h4-8H,9-10H2,1-3H3
InChIKeyDWALIPHYNBWDCS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.17
Rot. Bonds4

About 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole

4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 122140520) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID122140520
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole
SMILESCC(C)(C)CS(=O)(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H18N2O2S2/c1-14(2,3)10-20(17,18)9-11-8-19-13(16-11)12-6-4-5-7-15-12/h4-8H,9-10H2,1-3H3
InChIKeyDWALIPHYNBWDCS-UHFFFAOYSA-N
XLogP3.17
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole (CID 122140520) is 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole is CC(C)(C)CS(=O)(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is DWALIPHYNBWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-14(2,3)10-20(17,18)9-11-8-19-13(16-11)12-6-4-5-7-15-12/h4-8H,9-10H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole?
4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 310.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylsulfonylmethyl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 122140520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).