N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C13H16N4S — CID 139033771

IUPACN-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NC3CCCCC3)s2)nc1
InChIInChI=1S/C13H16N4S/c1-2-6-10(7-3-1)15-13-17-16-12(18-13)11-8-4-5-9-14-11/h4-5,8-10H,1-3,6-7H2,(H,15,17)
InChIKeyBGHPSPDVWZKDGY-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.34
Rot. Bonds3

About N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 139033771) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID139033771
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NC3CCCCC3)s2)nc1
InChIInChI=1S/C13H16N4S/c1-2-6-10(7-3-1)15-13-17-16-12(18-13)11-8-4-5-9-14-11/h4-5,8-10H,1-3,6-7H2,(H,15,17)
InChIKeyBGHPSPDVWZKDGY-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 139033771) is N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NC3CCCCC3)s2)nc1.
What is the InChIKey of N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is BGHPSPDVWZKDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-6-10(7-3-1)15-13-17-16-12(18-13)11-8-4-5-9-14-11/h4-5,8-10H,1-3,6-7H2,(H,15,17).
What are the key properties of N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 260.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 139033771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).