N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine

C16H21N3OS — CID 67326802

IUPACN-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1c(C)cc(-c2nnc(NC3CCCC3)s2)cc1C
InChIInChI=1S/C16H21N3OS/c1-10-8-12(9-11(2)14(10)20-3)15-18-19-16(21-15)17-13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3,(H,17,19)
InChIKeyWVNZXYPLLXKABU-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.19
Rot. Bonds4

About N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine

N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 67326802) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID67326802
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1c(C)cc(-c2nnc(NC3CCCC3)s2)cc1C
InChIInChI=1S/C16H21N3OS/c1-10-8-12(9-11(2)14(10)20-3)15-18-19-16(21-15)17-13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3,(H,17,19)
InChIKeyWVNZXYPLLXKABU-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine (CID 67326802) is N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine is COc1c(C)cc(-c2nnc(NC3CCCC3)s2)cc1C.
What is the InChIKey of N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WVNZXYPLLXKABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-8-12(9-11(2)14(10)20-3)15-18-19-16(21-15)17-13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67326802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).