N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

C13H13N3OS2 — CID 782768

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESCc1nc(NC(=S)NC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H13N3OS2/c1-8-9(2)19-13(14-8)16-12(18)15-11(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyFSODYBPXHBQACM-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.89
Rot. Bonds2

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide (PubChem CID 782768) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
PubChem CID782768
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESCc1nc(NC(=S)NC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H13N3OS2/c1-8-9(2)19-13(14-8)16-12(18)15-11(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyFSODYBPXHBQACM-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.89
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

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(4-methylthiazol-2-yl)benzamide
CID 695178
N-Benzothiazol-2-yl-benzamide
CID 689669
T0400-1499
CID 1549394
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
N,N'-Bis(4-methyl-2-thiazolyl)-terephthalamide
CID 269341
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide (CID 782768) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide is Cc1nc(NC(=S)NC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The InChIKey is FSODYBPXHBQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-8-9(2)19-13(14-8)16-12(18)15-11(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide has a molecular weight of 291.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 782768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).