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

C14H15N3OS2 — CID 63821276

IUPAC4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CN(C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H15N3OS2/c1-9-12(20-8-16-9)7-17(2)14(18)11-5-3-10(4-6-11)13(15)19/h3-6,8H,7H2,1-2H3,(H2,15,19)
InChIKeyJFUYPIPPAVHMCZ-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.36
Rot. Bonds4

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

4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 63821276) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID63821276
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CN(C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H15N3OS2/c1-9-12(20-8-16-9)7-17(2)14(18)11-5-3-10(4-6-11)13(15)19/h3-6,8H,7H2,1-2H3,(H2,15,19)
InChIKeyJFUYPIPPAVHMCZ-UHFFFAOYSA-N
XLogP2.36
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 82832587
4-chloro-3-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 99780348
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-carbamothioyl-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 114292314
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carbothioamide
CID 55260386
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
3-chloro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarbothioamide
CID 102666263
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
2-fluoro-6-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104917513

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 63821276) is 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CN(C)C(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is JFUYPIPPAVHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9-12(20-8-16-9)7-17(2)14(18)11-5-3-10(4-6-11)13(15)19/h3-6,8H,7H2,1-2H3,(H2,15,19).
What are the key properties of 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 305.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 63821276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).