1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea

C19H15ClN4S — CID 3005029

IUPAC1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SMILESS=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4S/c20-15-9-6-10-16(13-15)22-19(25)24-23-18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13H,(H2,22,24,25)
InChIKeyDDMBEZBBDVOBMQ-UHFFFAOYSA-N
MW366.88 g/mol
LogP4.47
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea

1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea (PubChem CID 3005029) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
PubChem CID3005029
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC Name1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SMILESS=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4S/c20-15-9-6-10-16(13-15)22-19(25)24-23-18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13H,(H2,22,24,25)
InChIKeyDDMBEZBBDVOBMQ-UHFFFAOYSA-N
XLogP4.47
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 54.47
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-(3-chlorophenyl)-3-[(E)-1-pyridin-2-ylpropylideneamino]thiourea
CID 90674544
1-cyclohepta-1,3,5-trien-1-yl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 143919676
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
1-(3-chlorophenyl)-3-[1-[6-[N-[(3-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3005049
1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3037709
1-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-propylthiourea
CID 10069308
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 142699149
dichlorocopper;1,1-diethyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005727
2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3534391
3-chloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]aniline
CID 4224641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea (CID 3005029) is 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea is S=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The InChIKey is DDMBEZBBDVOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c20-15-9-6-10-16(13-15)22-19(25)24-23-18(14-7-2-1-3-8-14)17-11-4-5-12-21-17/h1-13H,(H2,22,24,25).
What are the key properties of 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea has a molecular weight of 366.88 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea is sourced from PubChem (CID 3005029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).