2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C15H16N6OS2 — CID 653360

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C
InChIInChI=1S/C15H16N6OS2/c1-10-11(2)24-14(16-10)17-13(22)9-23-15-18-19-20-21(15)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,22)
InChIKeyPNOURWZCNCSJJA-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.53
Rot. Bonds6

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 653360) has the molecular formula C15H16N6OS2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID653360
Molecular FormulaC15H16N6OS2
Molecular Weight360.47 g/mol
Exact Mass360.08
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C
InChIInChI=1S/C15H16N6OS2/c1-10-11(2)24-14(16-10)17-13(22)9-23-15-18-19-20-21(15)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,22)
InChIKeyPNOURWZCNCSJJA-UHFFFAOYSA-N
XLogP2.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27135865
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460925
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 51151024
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27136248
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495758
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 27136128

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 653360) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PNOURWZCNCSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS2/c1-10-11(2)24-14(16-10)17-13(22)9-23-15-18-19-20-21(15)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,22).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 360.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 653360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).