2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide

C12H15N5O2S2 — CID 46988998

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
SMILESCOc1ccnc(CN(C)C(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C12H15N5O2S2/c1-17(6-8-5-9(19-2)3-4-14-8)10(18)7-20-12-16-15-11(13)21-12/h3-5H,6-7H2,1-2H3,(H2,13,15)
InChIKeyKRZZHAHANAVIOC-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.27
Rot. Bonds6

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide (PubChem CID 46988998) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
PubChem CID46988998
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
SMILESCOc1ccnc(CN(C)C(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C12H15N5O2S2/c1-17(6-8-5-9(19-2)3-4-14-8)10(18)7-20-12-16-15-11(13)21-12/h3-5H,6-7H2,1-2H3,(H2,13,15)
InChIKeyKRZZHAHANAVIOC-UHFFFAOYSA-N
XLogP1.27
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 86283847
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560171
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 9199506
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9199486
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9341469
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23945420
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9199507
3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 4109618
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7378324
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
CID 46997951

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide (CID 46988998) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide is COc1ccnc(CN(C)C(=O)CSc2nnc(N)s2)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide?
The InChIKey is KRZZHAHANAVIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-17(6-8-5-9(19-2)3-4-14-8)10(18)7-20-12-16-15-11(13)21-12/h3-5H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide has a molecular weight of 325.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 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-methoxy-2-pyridinyl)methyl]-N-methylacetamide is sourced from PubChem (CID 46988998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).