N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride

C15H19ClN4S — CID 122588918

IUPACN-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCCNc1nnc(-c2ccc(C3=CCNCC3)cc2)s1.Cl
InChIInChI=1S/C15H18N4S.ClH/c1-2-17-15-19-18-14(20-15)13-5-3-11(4-6-13)12-7-9-16-10-8-12;/h3-7,16H,2,8-10H2,1H3,(H,17,19);1H
InChIKeyRWIDBNJJKUWEPV-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.44
Rot. Bonds4

About N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride

N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 122588918) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID122588918
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC NameN-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCCNc1nnc(-c2ccc(C3=CCNCC3)cc2)s1.Cl
InChIInChI=1S/C15H18N4S.ClH/c1-2-17-15-19-18-14(20-15)13-5-3-11(4-6-13)12-7-9-16-10-8-12;/h3-7,16H,2,8-10H2,1H3,(H,17,19);1H
InChIKeyRWIDBNJJKUWEPV-UHFFFAOYSA-N
XLogP3.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride (CID 122588918) is N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride is CCNc1nnc(-c2ccc(C3=CCNCC3)cc2)s1.Cl.
What is the InChIKey of N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is RWIDBNJJKUWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S.ClH/c1-2-17-15-19-18-14(20-15)13-5-3-11(4-6-13)12-7-9-16-10-8-12;/h3-7,16H,2,8-10H2,1H3,(H,17,19);1H.
What are the key properties of N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 322.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 122588918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).