1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea

C18H21N3OS — CID 75596667

IUPAC1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C18H21N3OS/c1-13(2)15-9-5-6-10-16(15)20-18(23)21-19-12-14-8-4-7-11-17(14)22-3/h4-13H,1-3H3,(H2,20,21,23)
InChIKeyJTNDYKWGSMSCNS-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.14
Rot. Bonds5

About 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea

1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea (PubChem CID 75596667) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
PubChem CID75596667
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea
SMILESCOc1ccccc1C=NNC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C18H21N3OS/c1-13(2)15-9-5-6-10-16(15)20-18(23)21-19-12-14-8-4-7-11-17(14)22-3/h4-13H,1-3H3,(H2,20,21,23)
InChIKeyJTNDYKWGSMSCNS-UHFFFAOYSA-N
XLogP4.14
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 75596656
1-(2-ethynylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123144598
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-methyl-3-pyridinyl)thiourea
CID 88916841
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123792711
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-(6-methoxy-4-methyl-3-pyridinyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123753156
1,3-bis[(2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 2566373
1-(4-fluoro-3-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123526683
1-[(E)-1H-indol-3-ylmethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135683948

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea (CID 75596667) is 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea is COc1ccccc1C=NNC(=S)Nc1ccccc1C(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea?
The InChIKey is JTNDYKWGSMSCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13(2)15-9-5-6-10-16(15)20-18(23)21-19-12-14-8-4-7-11-17(14)22-3/h4-13H,1-3H3,(H2,20,21,23).
What are the key properties of 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea?
1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea has a molecular weight of 327.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methylideneamino]-3-(2-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 75596667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).