N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide

C14H12ClN5S2 — CID 2727564

IUPACN'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1
InChIInChI=1S/C14H12ClN5S2/c1-20(2)8-17-13-18-19-14(22-13)21-12-5-6-16-11-7-9(15)3-4-10(11)12/h3-8H,1-2H3
InChIKeyMEKAIZUJCFWEIN-UHFFFAOYSA-N
MW349.87 g/mol
LogP4.11
Rot. Bonds4

About N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide

N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 2727564) has the molecular formula C14H12ClN5S2 and a molecular weight of 349.87 g/mol. Its IUPAC name is N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
PubChem CID2727564
Molecular FormulaC14H12ClN5S2
Molecular Weight349.87 g/mol
Exact Mass349.02
IUPAC NameN'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1
InChIInChI=1S/C14H12ClN5S2/c1-20(2)8-17-13-18-19-14(22-13)21-12-5-6-16-11-7-9(15)3-4-10(11)12/h3-8H,1-2H3
InChIKeyMEKAIZUJCFWEIN-UHFFFAOYSA-N
XLogP4.11
TPSA54.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide (CID 2727564) is N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1.
What is the InChIKey of N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is MEKAIZUJCFWEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5S2/c1-20(2)8-17-13-18-19-14(22-13)21-12-5-6-16-11-7-9(15)3-4-10(11)12/h3-8H,1-2H3.
What are the key properties of N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide?
N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 349.87 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2727564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).