N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide

C7H8N6OS2 — CID 15729185

IUPACN-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Sc2nnnn2C)s1
InChIInChI=1S/C7H8N6OS2/c1-4(14)9-6-8-3-5(15-6)16-7-10-11-12-13(7)2/h3H,1-2H3,(H,8,9,14)
InChIKeyJMWYHCSCABWKOY-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.78
Rot. Bonds3

About N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide

N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide (PubChem CID 15729185) has the molecular formula C7H8N6OS2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide
PubChem CID15729185
Molecular FormulaC7H8N6OS2
Molecular Weight256.32 g/mol
Exact Mass256.02
IUPAC NameN-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Sc2nnnn2C)s1
InChIInChI=1S/C7H8N6OS2/c1-4(14)9-6-8-3-5(15-6)16-7-10-11-12-13(7)2/h3H,1-2H3,(H,8,9,14)
InChIKeyJMWYHCSCABWKOY-UHFFFAOYSA-N
XLogP0.78
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide (CID 15729185) is N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Sc2nnnn2C)s1.
What is the InChIKey of N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is JMWYHCSCABWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS2/c1-4(14)9-6-8-3-5(15-6)16-7-10-11-12-13(7)2/h3H,1-2H3,(H,8,9,14).
What are the key properties of N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide?
N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 256.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 15729185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).