1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

C14H23N3OS — CID 71733212

IUPAC1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1sc(NC2CCCCC2)nc1N
InChIInChI=1S/C14H23N3OS/c1-14(2,3)11(18)10-12(15)17-13(19-10)16-9-7-5-4-6-8-9/h9H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyJBZZPNNWTCCYQD-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.70
Rot. Bonds3

About 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 71733212) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
PubChem CID71733212
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1sc(NC2CCCCC2)nc1N
InChIInChI=1S/C14H23N3OS/c1-14(2,3)11(18)10-12(15)17-13(19-10)16-9-7-5-4-6-8-9/h9H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyJBZZPNNWTCCYQD-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one (CID 71733212) is 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1sc(NC2CCCCC2)nc1N.
What is the InChIKey of 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JBZZPNNWTCCYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,3)11(18)10-12(15)17-13(19-10)16-9-7-5-4-6-8-9/h9H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 281.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 71733212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).