N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide

C13H19N3O2S — CID 50875911

IUPACN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)Nc1nccs1
InChIInChI=1S/C13H19N3O2S/c17-11(16-13-15-8-9-19-13)6-7-14-12(18)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,18)(H,15,16,17)
InChIKeyRXUCHCUFIRWQJY-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.17
Rot. Bonds5

About N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide (PubChem CID 50875911) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
PubChem CID50875911
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)Nc1nccs1
InChIInChI=1S/C13H19N3O2S/c17-11(16-13-15-8-9-19-13)6-7-14-12(18)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,18)(H,15,16,17)
InChIKeyRXUCHCUFIRWQJY-UHFFFAOYSA-N
XLogP2.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74241855
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid
CID 43171781
3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 126794153
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 42654385
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-[3-oxo-3-[[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86880279
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 42654766
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 75592309
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
CID 50955525

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide (CID 50875911) is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)Nc1nccs1.
What is the InChIKey of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide?
The InChIKey is RXUCHCUFIRWQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-11(16-13-15-8-9-19-13)6-7-14-12(18)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,18)(H,15,16,17).
What are the key properties of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide?
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 50875911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).