N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide

C18H20N6O2S — CID 155230498

IUPACN-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide
SMILESCC(=O)N(C)c1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C18H20N6O2S/c1-11(2)26-13-7-8-14(20-10-13)16-21-18(27-23-16)22-17-15(6-5-9-19-17)24(4)12(3)25/h5-11H,1-4H3,(H,19,21,22,23)
InChIKeyNOIIUQYBQWFTTJ-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.51
Rot. Bonds6

About N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide

N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide (PubChem CID 155230498) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide
PubChem CID155230498
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide
SMILESCC(=O)N(C)c1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C18H20N6O2S/c1-11(2)26-13-7-8-14(20-10-13)16-21-18(27-23-16)22-17-15(6-5-9-19-17)24(4)12(3)25/h5-11H,1-4H3,(H,19,21,22,23)
InChIKeyNOIIUQYBQWFTTJ-UHFFFAOYSA-N
XLogP3.51
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide (CID 155230498) is N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide is CC(=O)N(C)c1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1.
What is the InChIKey of N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide?
The InChIKey is NOIIUQYBQWFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-11(2)26-13-7-8-14(20-10-13)16-21-18(27-23-16)22-17-15(6-5-9-19-17)24(4)12(3)25/h5-11H,1-4H3,(H,19,21,22,23).
What are the key properties of N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide?
N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide has a molecular weight of 384.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 155230498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).