N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide

C19H19ClN4OS — CID 138586648

IUPACN-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(Cc1ccc(CN)cc1)c1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C19H19ClN4OS/c1-12(25)22-17(9-13-5-7-14(11-21)8-6-13)19-24-23-18(26-19)15-3-2-4-16(20)10-15/h2-8,10,17H,9,11,21H2,1H3,(H,22,25)
InChIKeyAUCMOKLRHKKHCI-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide

N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide (PubChem CID 138586648) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
PubChem CID138586648
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(Cc1ccc(CN)cc1)c1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C19H19ClN4OS/c1-12(25)22-17(9-13-5-7-14(11-21)8-6-13)19-24-23-18(26-19)15-3-2-4-16(20)10-15/h2-8,10,17H,9,11,21H2,1H3,(H,22,25)
InChIKeyAUCMOKLRHKKHCI-UHFFFAOYSA-N
XLogP3.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide (CID 138586648) is N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide is CC(=O)NC(Cc1ccc(CN)cc1)c1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
The InChIKey is AUCMOKLRHKKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-12(25)22-17(9-13-5-7-14(11-21)8-6-13)19-24-23-18(26-19)15-3-2-4-16(20)10-15/h2-8,10,17H,9,11,21H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide?
N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide has a molecular weight of 386.91 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 138586648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).