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

C14H17N3S — CID 6491002

IUPACN-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(NC3CCCC3)s2)cc1
InChIInChI=1S/C14H17N3S/c1-10-6-8-11(9-7-10)13-16-17-14(18-13)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,15,17)
InChIKeyDWMOFIRBSCDADM-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.87
Rot. Bonds3

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

N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 6491002) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID6491002
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(NC3CCCC3)s2)cc1
InChIInChI=1S/C14H17N3S/c1-10-6-8-11(9-7-10)13-16-17-14(18-13)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,15,17)
InChIKeyDWMOFIRBSCDADM-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 6491002) is N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(-c2nnc(NC3CCCC3)s2)cc1.
What is the InChIKey of N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DWMOFIRBSCDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-6-8-11(9-7-10)13-16-17-14(18-13)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,15,17).
What are the key properties of N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6491002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).