2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide

C17H13N5OS3 — CID 23774938

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
SMILESNc1nnc(SCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)s1
InChIInChI=1S/C17H13N5OS3/c18-15-21-22-17(26-15)25-9-14(23)20-16-19-13(8-24-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H2,18,21)(H,19,20,23)
InChIKeyBOBLDYUECJPJNZ-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.13
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 23774938) has the molecular formula C17H13N5OS3 and a molecular weight of 399.53 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
PubChem CID23774938
Molecular FormulaC17H13N5OS3
Molecular Weight399.53 g/mol
Exact Mass399.03
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
SMILESNc1nnc(SCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)s1
InChIInChI=1S/C17H13N5OS3/c18-15-21-22-17(26-15)25-9-14(23)20-16-19-13(8-24-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H2,18,21)(H,19,20,23)
InChIKeyBOBLDYUECJPJNZ-UHFFFAOYSA-N
XLogP4.13
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8632772
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CID 42965350
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 35966048
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-naphthalen-1-ylethanone
CID 593277
N-[5-[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 4313682
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide (CID 23774938) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide is Nc1nnc(SCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BOBLDYUECJPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS3/c18-15-21-22-17(26-15)25-9-14(23)20-16-19-13(8-24-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2,(H2,18,21)(H,19,20,23).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 399.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23774938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).