5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

C14H18N4OS — CID 86805588

IUPAC5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1cc(CNc2nnc(C3CC3)s2)ccn1
InChIInChI=1S/C14H18N4OS/c1-9(2)19-12-7-10(5-6-15-12)8-16-14-18-17-13(20-14)11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyFAMGBZFAYGBBSW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.21
Rot. Bonds6

About 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 86805588) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID86805588
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1cc(CNc2nnc(C3CC3)s2)ccn1
InChIInChI=1S/C14H18N4OS/c1-9(2)19-12-7-10(5-6-15-12)8-16-14-18-17-13(20-14)11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyFAMGBZFAYGBBSW-UHFFFAOYSA-N
XLogP3.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 86805588) is 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is CC(C)Oc1cc(CNc2nnc(C3CC3)s2)ccn1.
What is the InChIKey of 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FAMGBZFAYGBBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(2)19-12-7-10(5-6-15-12)8-16-14-18-17-13(20-14)11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86805588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).