N-carbamothioyl-4-methoxybenzamide

C9H10N2O2S — CID 14007083

IUPACN-carbamothioyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(N)=S)cc1
InChIInChI=1S/C9H10N2O2S/c1-13-7-4-2-6(3-5-7)8(12)11-9(10)14/h2-5H,1H3,(H3,10,11,12,14)
InChIKeyKATYPQWDPOAQOC-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.67
Rot. Bonds2

About N-carbamothioyl-4-methoxybenzamide

N-carbamothioyl-4-methoxybenzamide (PubChem CID 14007083) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-carbamothioyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-carbamothioyl-4-methoxybenzamide
PubChem CID14007083
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-carbamothioyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(N)=S)cc1
InChIInChI=1S/C9H10N2O2S/c1-13-7-4-2-6(3-5-7)8(12)11-9(10)14/h2-5H,1H3,(H3,10,11,12,14)
InChIKeyKATYPQWDPOAQOC-UHFFFAOYSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-(tert-butylcarbamothioyl)-4-methoxybenzamide
CID 920636
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
N-carbamothioylbenzamide;naphthalene
CID 20980035
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135591078
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135474620
methyl N'-carbamoyl-N-(4-methoxybenzoyl)carbamimidothioate
CID 134892189
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
4-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1295042
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-4-methoxybenzamide?
The IUPAC name of N-carbamothioyl-4-methoxybenzamide (CID 14007083) is N-carbamothioyl-4-methoxybenzamide.
What is the SMILES notation for N-carbamothioyl-4-methoxybenzamide?
The canonical SMILES for N-carbamothioyl-4-methoxybenzamide is COc1ccc(C(=O)NC(N)=S)cc1.
What is the InChIKey of N-carbamothioyl-4-methoxybenzamide?
The InChIKey is KATYPQWDPOAQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-13-7-4-2-6(3-5-7)8(12)11-9(10)14/h2-5H,1H3,(H3,10,11,12,14).
What are the key properties of N-carbamothioyl-4-methoxybenzamide?
N-carbamothioyl-4-methoxybenzamide has a molecular weight of 210.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-4-methoxybenzamide is sourced from PubChem (CID 14007083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).