2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C16H25N3O3S — CID 16884001

IUPAC2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1
InChIInChI=1S/C16H25N3O3S/c1-11(2)9-22-16(21)19-15-18-13(10-23-15)8-14(20)17-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyAASHZIJMNNRUQO-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.34
Rot. Bonds6

About 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16884001) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16884001
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1
InChIInChI=1S/C16H25N3O3S/c1-11(2)9-22-16(21)19-15-18-13(10-23-15)8-14(20)17-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyAASHZIJMNNRUQO-UHFFFAOYSA-N
XLogP3.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16884001) is 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)COC(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1.
What is the InChIKey of 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is AASHZIJMNNRUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)9-22-16(21)19-15-18-13(10-23-15)8-14(20)17-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 339.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16884001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).