1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea

C14H14ClN3S2 — CID 7933526

IUPAC1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1C)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClN3S2/c1-9-5-3-4-6-11(9)16-14(19)18-17-10(2)12-7-8-13(15)20-12/h3-8H,1-2H3,(H2,16,18,19)/b17-10-
InChIKeyPDXIZLAPGAZKSX-YVLHZVERSA-N
MW323.87 g/mol
LogP4.42
Rot. Bonds3

About 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea

1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea (PubChem CID 7933526) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea
PubChem CID7933526
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1C)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClN3S2/c1-9-5-3-4-6-11(9)16-14(19)18-17-10(2)12-7-8-13(15)20-12/h3-8H,1-2H3,(H2,16,18,19)/b17-10-
InChIKeyPDXIZLAPGAZKSX-YVLHZVERSA-N
XLogP4.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.42
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-benzyl-3-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea
CID 6039280
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966014
1-(2-methylphenyl)-3-[(E)-1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
CID 135770238
2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94288949
1-(2-methylphenyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea
CID 7933503
1-(2,3-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3919934
1-[1-(4-chlorophenyl)ethylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 3274900
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
4-chloro-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-methylaniline
CID 6278168
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea (CID 7933526) is 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea is C/C(=N/NC(=S)Nc1ccccc1C)c1ccc(Cl)s1.
What is the InChIKey of 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea?
The InChIKey is PDXIZLAPGAZKSX-YVLHZVERSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c1-9-5-3-4-6-11(9)16-14(19)18-17-10(2)12-7-8-13(15)20-12/h3-8H,1-2H3,(H2,16,18,19)/b17-10-.
What are the key properties of 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea?
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea has a molecular weight of 323.87 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 7933526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).