4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole

C15H17NO3S2 — CID 44545556

IUPAC4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCc1nc(OCC2CC2)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H17NO3S2/c1-10-16-15(19-9-11-3-4-11)14(20-10)12-5-7-13(8-6-12)21(2,17)18/h5-8,11H,3-4,9H2,1-2H3
InChIKeyPOQTXEBOGZEVPR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.31
Rot. Bonds5

About 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole

4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 44545556) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID44545556
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCc1nc(OCC2CC2)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H17NO3S2/c1-10-16-15(19-9-11-3-4-11)14(20-10)12-5-7-13(8-6-12)21(2,17)18/h5-8,11H,3-4,9H2,1-2H3
InChIKeyPOQTXEBOGZEVPR-UHFFFAOYSA-N
XLogP3.31
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 44545556) is 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole is Cc1nc(OCC2CC2)c(-c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is POQTXEBOGZEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10-16-15(19-9-11-3-4-11)14(20-10)12-5-7-13(8-6-12)21(2,17)18/h5-8,11H,3-4,9H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 323.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 44545556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).