N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide

C23H24N8O2S2 — CID 144630713

IUPACN-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
SMILESCc1nnc(NC(=O)Cc2cccnc2)s1.O=C(Cc1cccnc1)Nc1nnc(CC2CC2)s1
InChIInChI=1S/C13H14N4OS.C10H10N4OS/c18-11(6-10-2-1-5-14-8-10)15-13-17-16-12(19-13)7-9-3-4-9;1-7-13-14-10(16-7)12-9(15)5-8-3-2-4-11-6-8/h1-2,5,8-9H,3-4,6-7H2,(H,15,17,18);2-4,6H,5H2,1H3,(H,12,14,15)
InChIKeyNBBTUWXMUHUVPF-UHFFFAOYSA-N
MW508.63 g/mol
LogP3.49
Rot. Bonds8

About N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide

N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide (PubChem CID 144630713) has the molecular formula C23H24N8O2S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
PubChem CID144630713
Molecular FormulaC23H24N8O2S2
Molecular Weight508.63 g/mol
Exact Mass508.15
IUPAC NameN-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
SMILESCc1nnc(NC(=O)Cc2cccnc2)s1.O=C(Cc1cccnc1)Nc1nnc(CC2CC2)s1
InChIInChI=1S/C13H14N4OS.C10H10N4OS/c18-11(6-10-2-1-5-14-8-10)15-13-17-16-12(19-13)7-9-3-4-9;1-7-13-14-10(16-7)12-9(15)5-8-3-2-4-11-6-8/h1-2,5,8-9H,3-4,6-7H2,(H,15,17,18);2-4,6H,5H2,1H3,(H,12,14,15)
InChIKeyNBBTUWXMUHUVPF-UHFFFAOYSA-N
XLogP3.49
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide with MolForge

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Related Compounds

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
CID 45489482
N-[5-[(E)-4-[5-(2-oxo-3-pyridin-3-ylpropyl)-1,3,4-thiadiazol-2-yl]but-2-enyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
CID 160989529
2-pyridin-3-yl-N-[5-[4-[[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121256477
2-(2-methyl-2,3-dihydropyridin-3-yl)-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123521404
(2R)-2-pyridin-3-yl-N-[5-[[(1S,3R)-3-[5-[[(2R)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 126610945
N-[5-[[(1S,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 118492658
N-[5-[(3R)-3-[(5-acetamido-1,3,4-thiadiazol-2-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyrimidin-5-ylacetamide
CID 126610953
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 144630605
N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
CID 126803646
N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide
CID 123791625
4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167992062

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide (CID 144630713) is N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide is Cc1nnc(NC(=O)Cc2cccnc2)s1.O=C(Cc1cccnc1)Nc1nnc(CC2CC2)s1.
What is the InChIKey of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide?
The InChIKey is NBBTUWXMUHUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS.C10H10N4OS/c18-11(6-10-2-1-5-14-8-10)15-13-17-16-12(19-13)7-9-3-4-9;1-7-13-14-10(16-7)12-9(15)5-8-3-2-4-11-6-8/h1-2,5,8-9H,3-4,6-7H2,(H,15,17,18);2-4,6H,5H2,1H3,(H,12,14,15).
What are the key properties of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide?
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide has a molecular weight of 508.63 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 144630713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).