5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide

C25H16ClN3OS2 — CID 17114045

IUPAC5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C25H16ClN3OS2/c26-21-10-4-7-18-19(21)8-3-9-20(18)23(30)28-24(31)29-25-27-22(14-32-25)17-12-11-15-5-1-2-6-16(15)13-17/h1-14H,(H2,27,28,29,30,31)
InChIKeyDHNHDVAFPKQNCK-UHFFFAOYSA-N
MW474.01 g/mol
LogP6.90
Rot. Bonds3

About 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide

5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide (PubChem CID 17114045) has the molecular formula C25H16ClN3OS2 and a molecular weight of 474.01 g/mol. Its IUPAC name is 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
PubChem CID17114045
Molecular FormulaC25H16ClN3OS2
Molecular Weight474.01 g/mol
Exact Mass473.04
IUPAC Name5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C25H16ClN3OS2/c26-21-10-4-7-18-19(21)8-3-9-20(18)23(30)28-24(31)29-25-27-22(14-32-25)17-12-11-15-5-1-2-6-16(15)13-17/h1-14H,(H2,27,28,29,30,31)
InChIKeyDHNHDVAFPKQNCK-UHFFFAOYSA-N
XLogP6.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 22778024
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-1-carboxamide
CID 2294024
N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 17100090
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 5229607
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
5-chloro-2-methoxy-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 23884537
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide
CID 4527893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide (CID 17114045) is 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide is O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is DHNHDVAFPKQNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3OS2/c26-21-10-4-7-18-19(21)8-3-9-20(18)23(30)28-24(31)29-25-27-22(14-32-25)17-12-11-15-5-1-2-6-16(15)13-17/h1-14H,(H2,27,28,29,30,31).
What are the key properties of 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 6.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 17114045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).