N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C18H19N5OS — CID 133442121

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCc3ccnc(OC4CCCC4)c3)s2)nc1
InChIInChI=1S/C18H19N5OS/c1-2-6-14(5-1)24-16-11-13(8-10-20-16)12-21-18-23-22-17(25-18)15-7-3-4-9-19-15/h3-4,7-11,14H,1-2,5-6,12H2,(H,21,23)
InChIKeyNOMBZCFDFQBCRO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.93
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133442121) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133442121
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCc3ccnc(OC4CCCC4)c3)s2)nc1
InChIInChI=1S/C18H19N5OS/c1-2-6-14(5-1)24-16-11-13(8-10-20-16)12-21-18-23-22-17(25-18)15-7-3-4-9-19-15/h3-4,7-11,14H,1-2,5-6,12H2,(H,21,23)
InChIKeyNOMBZCFDFQBCRO-UHFFFAOYSA-N
XLogP3.93
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-fluoropyridin-2-amine
CID 100642321
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970752
5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 86805588
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133442121) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCc3ccnc(OC4CCCC4)c3)s2)nc1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is NOMBZCFDFQBCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-2-6-14(5-1)24-16-11-13(8-10-20-16)12-21-18-23-22-17(25-18)15-7-3-4-9-19-15/h3-4,7-11,14H,1-2,5-6,12H2,(H,21,23).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 353.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133442121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).