N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide

C14H9ClN2OS3 — CID 107808445

IUPACN-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESNC(=S)c1ccc(NC(=O)c2cc3sccc3s2)c(Cl)c1
InChIInChI=1S/C14H9ClN2OS3/c15-8-5-7(13(16)19)1-2-9(8)17-14(18)12-6-11-10(21-12)3-4-20-11/h1-6H,(H2,16,19)(H,17,18)
InChIKeyRIZWDQVOPIMWTR-UHFFFAOYSA-N
MW352.89 g/mol
LogP4.50
Rot. Bonds3

About N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide

N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 107808445) has the molecular formula C14H9ClN2OS3 and a molecular weight of 352.89 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID107808445
Molecular FormulaC14H9ClN2OS3
Molecular Weight352.89 g/mol
Exact Mass351.96
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESNC(=S)c1ccc(NC(=O)c2cc3sccc3s2)c(Cl)c1
InChIInChI=1S/C14H9ClN2OS3/c15-8-5-7(13(16)19)1-2-9(8)17-14(18)12-6-11-10(21-12)3-4-20-11/h1-6H,(H2,16,19)(H,17,18)
InChIKeyRIZWDQVOPIMWTR-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 54.50
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-2-chlorophenyl)urea
CID 107808654
N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107675579
5-amino-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722215
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107808560

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide (CID 107808445) is N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide is NC(=S)c1ccc(NC(=O)c2cc3sccc3s2)c(Cl)c1.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is RIZWDQVOPIMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS3/c15-8-5-7(13(16)19)1-2-9(8)17-14(18)12-6-11-10(21-12)3-4-20-11/h1-6H,(H2,16,19)(H,17,18).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 352.89 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 107808445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).