N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide

C12H15N5OS3 — CID 46995282

IUPACN-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1nnc(SCCCNC(=O)CSc2ncccn2)s1
InChIInChI=1S/C12H15N5OS3/c1-9-16-17-12(21-9)19-7-3-6-13-10(18)8-20-11-14-4-2-5-15-11/h2,4-5H,3,6-8H2,1H3,(H,13,18)
InChIKeyCBEIKPAXGAARBK-UHFFFAOYSA-N
MW341.49 g/mol
LogP2.03
Rot. Bonds8

About N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 46995282) has the molecular formula C12H15N5OS3 and a molecular weight of 341.49 g/mol. Its IUPAC name is N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID46995282
Molecular FormulaC12H15N5OS3
Molecular Weight341.49 g/mol
Exact Mass341.04
IUPAC NameN-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1nnc(SCCCNC(=O)CSc2ncccn2)s1
InChIInChI=1S/C12H15N5OS3/c1-9-16-17-12(21-9)19-7-3-6-13-10(18)8-20-11-14-4-2-5-15-11/h2,4-5H,3,6-8H2,1H3,(H,13,18)
InChIKeyCBEIKPAXGAARBK-UHFFFAOYSA-N
XLogP2.03
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]thiadiazole-4-carboxamide
CID 46998399
(2S)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrazol-1-ylpropanamide
CID 126433936
3-(benzimidazol-1-yl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propanamide
CID 46990346
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72913970
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]acetamide
CID 124751530
2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
CID 74240978
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382
N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 39082404
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxochromene-3-carboxamide
CID 46993886
N-[2-(3-methylphenoxy)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51184240
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97207934
1-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74250558

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 46995282) is N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide is Cc1nnc(SCCCNC(=O)CSc2ncccn2)s1.
What is the InChIKey of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is CBEIKPAXGAARBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS3/c1-9-16-17-12(21-9)19-7-3-6-13-10(18)8-20-11-14-4-2-5-15-11/h2,4-5H,3,6-8H2,1H3,(H,13,18).
What are the key properties of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 341.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 46995282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).