2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid

C15H22N2O4S — CID 58182196

IUPAC2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(C2CCCCC2)nc1C(=O)O
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-12-10(13(18)19)16-11(22-12)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJRVBEZZSRWBKRA-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.24
Rot. Bonds3

About 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid

2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 58182196) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID58182196
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(C2CCCCC2)nc1C(=O)O
InChIInChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-12-10(13(18)19)16-11(22-12)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJRVBEZZSRWBKRA-UHFFFAOYSA-N
XLogP4.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid (CID 58182196) is 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)Nc1sc(C2CCCCC2)nc1C(=O)O.
What is the InChIKey of 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JRVBEZZSRWBKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-12-10(13(18)19)16-11(22-12)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid?
2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58182196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).