2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide

C16H21N5OS — CID 138481133

IUPAC2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNCc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)nc1
InChIInChI=1S/C16H21N5OS/c17-9-11-6-7-13(18-10-11)8-14(22)19-16-21-20-15(23-16)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,19,21,22)
InChIKeyQPFSPRBIBDKXCB-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.62
Rot. Bonds5

About 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide

2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 138481133) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID138481133
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNCc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)nc1
InChIInChI=1S/C16H21N5OS/c17-9-11-6-7-13(18-10-11)8-14(22)19-16-21-20-15(23-16)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,19,21,22)
InChIKeyQPFSPRBIBDKXCB-UHFFFAOYSA-N
XLogP2.62
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123984378
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163298
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
2-[3-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123890028
2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123694856
6-[2-[[5-[(1S,3S)-3-[5-[[2-(5-formamido-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 90163384
2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123252332
N-[5-[(1S,3S)-3-[5-[[2-(5-cyano-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-ethynyl-2-pyridinyl)acetamide
CID 118444144
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-methoxyethoxy)-2-pyridinyl]acetamide
CID 135234064
2-(4-ethylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-ethylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444073

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide (CID 138481133) is 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide is NCc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)nc1.
What is the InChIKey of 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QPFSPRBIBDKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-9-11-6-7-13(18-10-11)8-14(22)19-16-21-20-15(23-16)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,19,21,22).
What are the key properties of 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 331.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-pyridinyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 138481133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).