2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C14H17N3O2S — CID 43301277

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CSc2ccc(N)cn2)o1
InChIInChI=1S/C14H17N3O2S/c1-10-3-5-12(19-10)8-17(2)14(18)9-20-13-6-4-11(15)7-16-13/h3-7H,8-9,15H2,1-2H3
InChIKeyDJEVSFWKEVZYFH-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.32
Rot. Bonds5

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 43301277) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID43301277
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CSc2ccc(N)cn2)o1
InChIInChI=1S/C14H17N3O2S/c1-10-3-5-12(19-10)8-17(2)14(18)9-20-13-6-4-11(15)7-16-13/h3-7H,8-9,15H2,1-2H3
InChIKeyDJEVSFWKEVZYFH-UHFFFAOYSA-N
XLogP2.32
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60666714
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9199486
2-(2-amino-4-methylphenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43302500
2-(4-amino-3-fluorophenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79130470
3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137138
2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 43300945
(2S)-2-amino-3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031307
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 18283575
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40682684
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646250
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18202322
2-(5-amino-2-pyridinyl)-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 107338030

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 43301277) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CSc2ccc(N)cn2)o1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is DJEVSFWKEVZYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-3-5-12(19-10)8-17(2)14(18)9-20-13-6-4-11(15)7-16-13/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 43301277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).