4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide

C14H15N3OS2 — CID 61477386

IUPAC4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(C(N)=S)cc2)sc1C
InChIInChI=1S/C14H15N3OS2/c1-3-11-8(2)20-14(16-11)17-13(18)10-6-4-9(5-7-10)12(15)19/h4-7H,3H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyCCDADQPSXAEAKS-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.90
Rot. Bonds4

About 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide

4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 61477386) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID61477386
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(C(N)=S)cc2)sc1C
InChIInChI=1S/C14H15N3OS2/c1-3-11-8(2)20-14(16-11)17-13(18)10-6-4-9(5-7-10)12(15)19/h4-7H,3H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyCCDADQPSXAEAKS-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.90
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

2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 63591400
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524874
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61474388
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 47057944
3-chloro-4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 63086787
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide (CID 61477386) is 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide is CCc1nc(NC(=O)c2ccc(C(N)=S)cc2)sc1C.
What is the InChIKey of 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CCDADQPSXAEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-3-11-8(2)20-14(16-11)17-13(18)10-6-4-9(5-7-10)12(15)19/h4-7H,3H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 305.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61477386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).