1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

C19H21ClN2OS — CID 59088067

IUPAC1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESCOc1ccc2c(c1)CCCC2NC(=S)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2OS/c1-23-16-9-10-17-14(11-16)3-2-4-18(17)22-19(24)21-12-13-5-7-15(20)8-6-13/h5-11,18H,2-4,12H2,1H3,(H2,21,22,24)
InChIKeyWYPGRWKHKXICFH-UHFFFAOYSA-N
MW360.91 g/mol
LogP4.39
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea

1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (PubChem CID 59088067) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
PubChem CID59088067
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILESCOc1ccc2c(c1)CCCC2NC(=S)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2OS/c1-23-16-9-10-17-14(11-16)3-2-4-18(17)22-19(24)21-12-13-5-7-15(20)8-6-13/h5-11,18H,2-4,12H2,1H3,(H2,21,22,24)
InChIKeyWYPGRWKHKXICFH-UHFFFAOYSA-N
XLogP4.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea (CID 59088067) is 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is COc1ccc2c(c1)CCCC2NC(=S)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
The InChIKey is WYPGRWKHKXICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-23-16-9-10-17-14(11-16)3-2-4-18(17)22-19(24)21-12-13-5-7-15(20)8-6-13/h5-11,18H,2-4,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea?
1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea has a molecular weight of 360.91 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea is sourced from PubChem (CID 59088067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).