2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide

C14H15N3O2S2 — CID 17045791

IUPAC2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1nccs1
InChIInChI=1S/C14H15N3O2S2/c1-9(2)19-11-6-4-3-5-10(11)12(18)16-13(20)17-14-15-7-8-21-14/h3-9H,1-2H3,(H2,15,16,17,18,20)
InChIKeyVXKQRFBTAPPUFO-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.06
Rot. Bonds4

About 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide

2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide (PubChem CID 17045791) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
PubChem CID17045791
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1nccs1
InChIInChI=1S/C14H15N3O2S2/c1-9(2)19-11-6-4-3-5-10(11)12(18)16-13(20)17-14-15-7-8-21-14/h3-9H,1-2H3,(H2,15,16,17,18,20)
InChIKeyVXKQRFBTAPPUFO-UHFFFAOYSA-N
XLogP3.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17045861
N-ethyl-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045912
N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045738
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
N-(1-phenylethyl)-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045880
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045921
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045953
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045900
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045856

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide?
The IUPAC name of 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide (CID 17045791) is 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide?
The canonical SMILES for 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide is CC(C)Oc1ccccc1C(=O)NC(=S)Nc1nccs1.
What is the InChIKey of 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide?
The InChIKey is VXKQRFBTAPPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9(2)19-11-6-4-3-5-10(11)12(18)16-13(20)17-14-15-7-8-21-14/h3-9H,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide?
2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide has a molecular weight of 321.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide is sourced from PubChem (CID 17045791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).