2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

C9H12N6OS2 — CID 2953421

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nnnn1C)C(=O)Nc1nccs1
InChIInChI=1S/C9H12N6OS2/c1-3-6(18-9-12-13-14-15(9)2)7(16)11-8-10-4-5-17-8/h4-6H,3H2,1-2H3,(H,10,11,16)
InChIKeyDUPYYDZIXHSTEZ-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.18
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2953421) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2953421
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nnnn1C)C(=O)Nc1nccs1
InChIInChI=1S/C9H12N6OS2/c1-3-6(18-9-12-13-14-15(9)2)7(16)11-8-10-4-5-17-8/h4-6H,3H2,1-2H3,(H,10,11,16)
InChIKeyDUPYYDZIXHSTEZ-UHFFFAOYSA-N
XLogP1.18
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 1887129
CID 1887129
CID 2994565
CID 2994565
CID 6458326
CID 6458326
CID 6466212
CID 6466212
CID 6470969
CID 6470969
CID 6471089
CID 6471089
CID 6501062
CID 6501062
CID 24980829
CID 24980829
CID 2952251
CID 2952251
CID 2233239
CID 2233239
CID 2985038
CID 2985038
CID 2986542
CID 2986542

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (CID 2953421) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is CCC(Sc1nnnn1C)C(=O)Nc1nccs1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is DUPYYDZIXHSTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-3-6(18-9-12-13-14-15(9)2)7(16)11-8-10-4-5-17-8/h4-6H,3H2,1-2H3,(H,10,11,16).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 284.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2953421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).