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

C19H19N3OS2 — CID 1326196

IUPAC3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide
SMILESCC(C)CC(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C19H19N3OS2/c1-12(2)10-17(23)21-18(24)22-19-20-16(11-25-19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyHJTUQIMNQDFMRP-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.82
Rot. Bonds4

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

3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide (PubChem CID 1326196) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide
PubChem CID1326196
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide
SMILESCC(C)CC(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C19H19N3OS2/c1-12(2)10-17(23)21-18(24)22-19-20-16(11-25-19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyHJTUQIMNQDFMRP-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide?
The IUPAC name of 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide (CID 1326196) is 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide?
The canonical SMILES for 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide is CC(C)CC(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide?
The InChIKey is HJTUQIMNQDFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-12(2)10-17(23)21-18(24)22-19-20-16(11-25-19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide?
3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide has a molecular weight of 369.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]butanamide is sourced from PubChem (CID 1326196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).