N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C17H15ClN4S — CID 133467402

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(C(Nc2nnc(-c3ccccn3)s2)C2CC2)cc1
InChIInChI=1S/C17H15ClN4S/c18-13-8-6-12(7-9-13)15(11-4-5-11)20-17-22-21-16(23-17)14-3-1-2-10-19-14/h1-3,6-11,15H,4-5H2,(H,20,22)
InChIKeyBBSSIXWZZCOFPY-UHFFFAOYSA-N
MW342.86 g/mol
LogP4.82
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133467402) has the molecular formula C17H15ClN4S and a molecular weight of 342.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133467402
Molecular FormulaC17H15ClN4S
Molecular Weight342.86 g/mol
Exact Mass342.07
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(C(Nc2nnc(-c3ccccn3)s2)C2CC2)cc1
InChIInChI=1S/C17H15ClN4S/c18-13-8-6-12(7-9-13)15(11-4-5-11)20-17-22-21-16(23-17)14-3-1-2-10-19-14/h1-3,6-11,15H,4-5H2,(H,20,22)
InChIKeyBBSSIXWZZCOFPY-UHFFFAOYSA-N
XLogP4.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133467402) is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is Clc1ccc(C(Nc2nnc(-c3ccccn3)s2)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is BBSSIXWZZCOFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4S/c18-13-8-6-12(7-9-13)15(11-4-5-11)20-17-22-21-16(23-17)14-3-1-2-10-19-14/h1-3,6-11,15H,4-5H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 342.86 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).