N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide

C13H19N3O2S — CID 44997302

IUPACN-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-9-8-19-13(14-9)16-12(18)11(17)15-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyVNITUQOIZOULGS-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.23
Rot. Bonds2

About N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide

N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide (PubChem CID 44997302) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
PubChem CID44997302
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C13H19N3O2S/c1-9-8-19-13(14-9)16-12(18)11(17)15-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyVNITUQOIZOULGS-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide
CID 108831459
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
N-cyclohexyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 143290399
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
CID 87173211
N-cyclopentyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 142956868
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide (CID 44997302) is N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide is Cc1csc(NC(=O)C(=O)NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is VNITUQOIZOULGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9-8-19-13(14-9)16-12(18)11(17)15-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 281.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 44997302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).