N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide

C14H15N3O2S — CID 107800790

IUPACN-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C)c1/C(N)=N/O
InChIInChI=1S/C14H15N3O2S/c1-8-4-3-5-10(11(8)13(15)17-19)16-14(18)12-9(2)6-7-20-12/h3-7,19H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyQULRMSSOIMDPGJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.71
Rot. Bonds3

About N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide

N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 107800790) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID107800790
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C)c1/C(N)=N/O
InChIInChI=1S/C14H15N3O2S/c1-8-4-3-5-10(11(8)13(15)17-19)16-14(18)12-9(2)6-7-20-12/h3-7,19H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyQULRMSSOIMDPGJ-UHFFFAOYSA-N
XLogP2.71
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.71
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'}

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Related Compounds

N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 77050479
5-bromo-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylthiophene-2-carboxamide
CID 107800842
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
1,1-diethyl-3-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]urea
CID 107800954
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 107800757
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide (CID 107800790) is N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C)c1/C(N)=N/O.
What is the InChIKey of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is QULRMSSOIMDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-4-3-5-10(11(8)13(15)17-19)16-14(18)12-9(2)6-7-20-12/h3-7,19H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide?
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 107800790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).