(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine

C15H19N3S — CID 59028740

IUPAC(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
SMILESCc1ccc(Cc2nnc(C3CC[C@H](N)C3)s2)cc1
InChIInChI=1S/C15H19N3S/c1-10-2-4-11(5-3-10)8-14-17-18-15(19-14)12-6-7-13(16)9-12/h2-5,12-13H,6-9,16H2,1H3/t12?,13-/m0/s1
InChIKeyCKUFBXUQYUZSJN-ABLWVSNPSA-N
MW273.40 g/mol
LogP3.03
Rot. Bonds3

About (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine

(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine (PubChem CID 59028740) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
PubChem CID59028740
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine
SMILESCc1ccc(Cc2nnc(C3CC[C@H](N)C3)s2)cc1
InChIInChI=1S/C15H19N3S/c1-10-2-4-11(5-3-10)8-14-17-18-15(19-14)12-6-7-13(16)9-12/h2-5,12-13H,6-9,16H2,1H3/t12?,13-/m0/s1
InChIKeyCKUFBXUQYUZSJN-ABLWVSNPSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine (CID 59028740) is (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine is Cc1ccc(Cc2nnc(C3CC[C@H](N)C3)s2)cc1.
What is the InChIKey of (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
The InChIKey is CKUFBXUQYUZSJN-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-2-4-11(5-3-10)8-14-17-18-15(19-14)12-6-7-13(16)9-12/h2-5,12-13H,6-9,16H2,1H3/t12?,13-/m0/s1.
What are the key properties of (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine?
(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 59028740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).