2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide

C13H17Cl2N3O2S — CID 107965125

IUPAC2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Cl)sc2Cl)(/C(N)=N/O)CC1
InChIInChI=1S/C13H17Cl2N3O2S/c1-7-2-4-13(5-3-7,12(16)18-20)17-11(19)8-6-9(14)21-10(8)15/h6-7,20H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyQQSVXYYWRBNFIR-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.48
Rot. Bonds3

About 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide

2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide (PubChem CID 107965125) has the molecular formula C13H17Cl2N3O2S and a molecular weight of 350.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide
PubChem CID107965125
Molecular FormulaC13H17Cl2N3O2S
Molecular Weight350.27 g/mol
Exact Mass349.04
IUPAC Name2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Cl)sc2Cl)(/C(N)=N/O)CC1
InChIInChI=1S/C13H17Cl2N3O2S/c1-7-2-4-13(5-3-7,12(16)18-20)17-11(19)8-6-9(14)21-10(8)15/h6-7,20H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyQQSVXYYWRBNFIR-UHFFFAOYSA-N
XLogP3.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]pyridine-4-carboxamide
CID 77135272
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560
N-(1-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
CID 107961704
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930043
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]carbamate
CID 76898062
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182737
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpiperidin-4-yl]furan-3-carboxamide
CID 106689269
N'-hydroxy-4-methyl-1-(sulfamoylamino)cyclohexane-1-carboximidamide
CID 104985759

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide (CID 107965125) is 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide is CC1CCC(NC(=O)c2cc(Cl)sc2Cl)(/C(N)=N/O)CC1.
What is the InChIKey of 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide?
The InChIKey is QQSVXYYWRBNFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2S/c1-7-2-4-13(5-3-7,12(16)18-20)17-11(19)8-6-9(14)21-10(8)15/h6-7,20H,2-5H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide?
2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide has a molecular weight of 350.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]thiophene-3-carboxamide is sourced from PubChem (CID 107965125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).