N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide

C13H21N3O2S — CID 2941845

IUPACN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H21N3O2S/c1-9(11(17)16-13-14-7-8-19-13)15-12(18)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyTVLSQDWJLYRQRI-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.29
Rot. Bonds3

About N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 2941845) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID2941845
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H21N3O2S/c1-9(11(17)16-13-14-7-8-19-13)15-12(18)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyTVLSQDWJLYRQRI-UHFFFAOYSA-N
XLogP1.29
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 2941845) is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C(=O)NC1=NCCS1.
What is the InChIKey of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is TVLSQDWJLYRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(11(17)16-13-14-7-8-19-13)15-12(18)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2941845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).