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

C14H15N3OS2 — CID 106035352

IUPAC3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2cccc(C(N)=S)c2)cs1
InChIInChI=1S/C14H15N3OS2/c1-9-17-12(8-20-9)5-6-16-14(18)11-4-2-3-10(7-11)13(15)19/h2-4,7-8H,5-6H2,1H3,(H2,15,19)(H,16,18)
InChIKeyADFUSVALQDNBAZ-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.06
Rot. Bonds5

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

3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 106035352) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID106035352
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2cccc(C(N)=S)c2)cs1
InChIInChI=1S/C14H15N3OS2/c1-9-17-12(8-20-9)5-6-16-14(18)11-4-2-3-10(7-11)13(15)19/h2-4,7-8H,5-6H2,1H3,(H2,15,19)(H,16,18)
InChIKeyADFUSVALQDNBAZ-UHFFFAOYSA-N
XLogP2.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.06
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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106035385
5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106035388
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36751788
N-[(3-carbamothioylphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198716
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040228
N-ethyl-3-[[[ethylamino-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 111932200
3-amino-2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106032973
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 106035352) is 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2cccc(C(N)=S)c2)cs1.
What is the InChIKey of 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is ADFUSVALQDNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9-17-12(8-20-9)5-6-16-14(18)11-4-2-3-10(7-11)13(15)19/h2-4,7-8H,5-6H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 305.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106035352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).