N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide

C16H13N3OS2 — CID 17100090

IUPACN-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H13N3OS2/c1-10(20)17-15(21)19-16-18-14(9-22-16)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyCJTKEURTKXDMMZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.80
Rot. Bonds2

About N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide

N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide (PubChem CID 17100090) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
PubChem CID17100090
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC NameN-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H13N3OS2/c1-10(20)17-15(21)19-16-18-14(9-22-16)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyCJTKEURTKXDMMZ-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.80
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

1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide
CID 5230077
3-ethoxy-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 5229607
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
5-chloro-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 17114045
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]naphthalene-2-carboxamide
CID 4527893
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274

Frequently Asked Questions

What is the IUPAC name of N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide?
The IUPAC name of N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide (CID 17100090) is N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide?
The canonical SMILES for N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide?
The InChIKey is CJTKEURTKXDMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-10(20)17-15(21)19-16-18-14(9-22-16)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H2,17,18,19,20,21).
What are the key properties of N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide?
N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide is sourced from PubChem (CID 17100090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).