2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

C15H17N3OS2 — CID 63591400

IUPAC2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)Cc2ccc(C(N)=S)cc2)sc1C
InChIInChI=1S/C15H17N3OS2/c1-3-12-9(2)21-15(17-12)18-13(19)8-10-4-6-11(7-5-10)14(16)20/h4-7H,3,8H2,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeySGGANUIULWQJON-UHFFFAOYSA-N
MW319.46 g/mol
LogP2.83
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 63591400) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID63591400
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)Cc2ccc(C(N)=S)cc2)sc1C
InChIInChI=1S/C15H17N3OS2/c1-3-12-9(2)21-15(17-12)18-13(19)8-10-4-6-11(7-5-10)14(16)20/h4-7H,3,8H2,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeySGGANUIULWQJON-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 52.83
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-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
3-chloro-4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 63086787
2-amino-N-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 54953528
3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
CID 47047643
4-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119295908
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119735313
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 47057944

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (CID 63591400) is 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(=O)Cc2ccc(C(N)=S)cc2)sc1C.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SGGANUIULWQJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-3-12-9(2)21-15(17-12)18-13(19)8-10-4-6-11(7-5-10)14(16)20/h4-7H,3,8H2,1-2H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 319.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 63591400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).