2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C10H14N2O4S2 — CID 64987972

IUPAC2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)CC2CC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-6-9(10(13)14)17-8(12-6)4-11-18(15,16)5-7-2-3-7/h7,11H,2-5H2,1H3,(H,13,14)
InChIKeyCZXZLAFUWLXYIK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.98
Rot. Bonds6

About 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 64987972) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID64987972
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)CC2CC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-6-9(10(13)14)17-8(12-6)4-11-18(15,16)5-7-2-3-7/h7,11H,2-5H2,1H3,(H,13,14)
InChIKeyCZXZLAFUWLXYIK-UHFFFAOYSA-N
XLogP0.98
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 64987972) is 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNS(=O)(=O)CC2CC2)sc1C(=O)O.
What is the InChIKey of 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CZXZLAFUWLXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-6-9(10(13)14)17-8(12-6)4-11-18(15,16)5-7-2-3-7/h7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 64987972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).