N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride

C14H16Cl2N4O2S — CID 119807010

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1COCCN1
InChIInChI=1S/C14H15ClN4O2S.ClH/c15-10-3-1-2-9(6-10)7-12-18-19-14(22-12)17-13(20)11-8-21-5-4-16-11;/h1-3,6,11,16H,4-5,7-8H2,(H,17,19,20);1H
InChIKeyKWZDZCQVOLDSJR-UHFFFAOYSA-N
MW375.28 g/mol
LogP2.13
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride

N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119807010) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID119807010
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1COCCN1
InChIInChI=1S/C14H15ClN4O2S.ClH/c15-10-3-1-2-9(6-10)7-12-18-19-14(22-12)17-13(20)11-8-21-5-4-16-11;/h1-3,6,11,16H,4-5,7-8H2,(H,17,19,20);1H
InChIKeyKWZDZCQVOLDSJR-UHFFFAOYSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride (CID 119807010) is N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)C1COCCN1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is KWZDZCQVOLDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S.ClH/c15-10-3-1-2-9(6-10)7-12-18-19-14(22-12)17-13(20)11-8-21-5-4-16-11;/h1-3,6,11,16H,4-5,7-8H2,(H,17,19,20);1H.
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 375.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119807010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).