2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

C14H10ClN3O2S3 — CID 4238642

IUPAC2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C14H10ClN3O2S3/c15-7-1-2-10-9(5-7)17-14(23-10)22-6-11(19)18-13-8(12(16)20)3-4-21-13/h1-5H,6H2,(H2,16,20)(H,18,19)
InChIKeyUKMVALGUJBNEFJ-UHFFFAOYSA-N
MW383.91 g/mol
LogP3.84
Rot. Bonds5

About 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 4238642) has the molecular formula C14H10ClN3O2S3 and a molecular weight of 383.91 g/mol. Its IUPAC name is 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
PubChem CID4238642
Molecular FormulaC14H10ClN3O2S3
Molecular Weight383.91 g/mol
Exact Mass382.96
IUPAC Name2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C14H10ClN3O2S3/c15-7-1-2-10-9(5-7)17-14(23-10)22-6-11(19)18-13-8(12(16)20)3-4-21-13/h1-5H,6H2,(H2,16,20)(H,18,19)
InChIKeyUKMVALGUJBNEFJ-UHFFFAOYSA-N
XLogP3.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 5024075
2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 47046613
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325039
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
2-[[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16502325
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 3923725
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 7795978
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 8642901
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 4920912
N-butan-2-yl-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3940496
2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2496108

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (CID 4238642) is 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is UKMVALGUJBNEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S3/c15-7-1-2-10-9(5-7)17-14(23-10)22-6-11(19)18-13-8(12(16)20)3-4-21-13/h1-5H,6H2,(H2,16,20)(H,18,19).
What are the key properties of 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 383.91 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 4238642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).