ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate

C10H13N3O3S — CID 11379829

IUPACethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
SMILESCCOC(=O)NC(=S)Nc1ncccc1OC
InChIInChI=1S/C10H13N3O3S/c1-3-16-10(14)13-9(17)12-8-7(15-2)5-4-6-11-8/h4-6H,3H2,1-2H3,(H2,11,12,13,14,17)
InChIKeyHVGDTXRMGSMOOG-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.53
Rot. Bonds3

About ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate

ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate (PubChem CID 11379829) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
PubChem CID11379829
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Nameethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
SMILESCCOC(=O)NC(=S)Nc1ncccc1OC
InChIInChI=1S/C10H13N3O3S/c1-3-16-10(14)13-9(17)12-8-7(15-2)5-4-6-11-8/h4-6H,3H2,1-2H3,(H2,11,12,13,14,17)
InChIKeyHVGDTXRMGSMOOG-UHFFFAOYSA-N
XLogP1.53
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3-chloro-2-pyridinyl)carbamothioyl]carbamate
CID 154638035
methyl 2-(ethoxycarbonylcarbamothioylamino)-6-methoxypyridine-3-carboxylate
CID 121002980
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651701
1-[(3,4-diethoxyphenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100667911
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
N-(3-methoxy-2-pyridinyl)prop-2-ynamide
CID 131155873
1-(2-benzylbutyl)-3-(3-methoxy-2-pyridinyl)thiourea
CID 133154672
1-(3-methoxy-2-pyridinyl)-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100667189
1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100607030
1-(3-methoxy-2-pyridinyl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216727
1-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 133230923

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate?
The IUPAC name of ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate (CID 11379829) is ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate?
The canonical SMILES for ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate is CCOC(=O)NC(=S)Nc1ncccc1OC.
What is the InChIKey of ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate?
The InChIKey is HVGDTXRMGSMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-3-16-10(14)13-9(17)12-8-7(15-2)5-4-6-11-8/h4-6H,3H2,1-2H3,(H2,11,12,13,14,17).
What are the key properties of ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate?
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate has a molecular weight of 255.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate is sourced from PubChem (CID 11379829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).