N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide

C10H13N3O2S — CID 17370960

IUPACN-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide
SMILESCOc1ccc(C)cc1NC(=S)NNC=O
InChIInChI=1S/C10H13N3O2S/c1-7-3-4-9(15-2)8(5-7)12-10(16)13-11-6-14/h3-6H,1-2H3,(H,11,14)(H2,12,13,16)
InChIKeyZCEMBQVQOWULOH-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.95
Rot. Bonds4

About N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide

N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide (PubChem CID 17370960) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide
PubChem CID17370960
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide
SMILESCOc1ccc(C)cc1NC(=S)NNC=O
InChIInChI=1S/C10H13N3O2S/c1-7-3-4-9(15-2)8(5-7)12-10(16)13-11-6-14/h3-6H,1-2H3,(H,11,14)(H2,12,13,16)
InChIKeyZCEMBQVQOWULOH-UHFFFAOYSA-N
XLogP0.95
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-(carbamothioylamino)-3-(2-methoxy-5-methylphenyl)urea
CID 44725083
1-butyl-3-(2-methoxy-5-methylphenyl)thiourea
CID 8627468
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(1,1-dimethoxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 3249140
1-(2-methoxy-5-methylphenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 6712826
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408
1-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(2-methoxy-5-methylphenyl)thiourea
CID 17371485
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide (CID 17370960) is N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide is COc1ccc(C)cc1NC(=S)NNC=O.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide?
The InChIKey is ZCEMBQVQOWULOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-3-4-9(15-2)8(5-7)12-10(16)13-11-6-14/h3-6H,1-2H3,(H,11,14)(H2,12,13,16).
What are the key properties of N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide?
N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide has a molecular weight of 239.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)carbamothioylamino]formamide is sourced from PubChem (CID 17370960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).