5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

C15H20N4OS — CID 86819456

IUPAC5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(CC3CCCC3)s2)n1
InChIInChI=1S/C15H20N4OS/c1-20-13-8-4-7-12(17-13)10-16-15-19-18-14(21-15)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,16,19)
InChIKeyMFVXRRFZUCWYPL-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.29
Rot. Bonds6

About 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 86819456) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID86819456
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(CC3CCCC3)s2)n1
InChIInChI=1S/C15H20N4OS/c1-20-13-8-4-7-12(17-13)10-16-15-19-18-14(21-15)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,16,19)
InChIKeyMFVXRRFZUCWYPL-UHFFFAOYSA-N
XLogP3.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 86819456) is 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is COc1cccc(CNc2nnc(CC3CCCC3)s2)n1.
What is the InChIKey of 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MFVXRRFZUCWYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-20-13-8-4-7-12(17-13)10-16-15-19-18-14(21-15)9-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,16,19).
What are the key properties of 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86819456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).