5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C10H11ClN4S2 — CID 119042084

IUPAC5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2cccc(Cl)n2)s1
InChIInChI=1S/C10H11ClN4S2/c1-2-12-9-14-15-10(17-9)16-6-7-4-3-5-8(11)13-7/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyOUPUTDIYNUQOTC-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.31
Rot. Bonds5

About 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 119042084) has the molecular formula C10H11ClN4S2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID119042084
Molecular FormulaC10H11ClN4S2
Molecular Weight286.81 g/mol
Exact Mass286.01
IUPAC Name5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2cccc(Cl)n2)s1
InChIInChI=1S/C10H11ClN4S2/c1-2-12-9-14-15-10(17-9)16-6-7-4-3-5-8(11)13-7/h3-5H,2,6H2,1H3,(H,12,14)
InChIKeyOUPUTDIYNUQOTC-UHFFFAOYSA-N
XLogP3.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 119041711
2-[(6-chloro-2-pyridinyl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 79037541
5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 33080782
5-[(6-amino-2-pyridinyl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 119050665
5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 119042413
7-chloro-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 18092528
5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 119041712
1-(4-chlorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 47148653
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
5-[(5-bromo-2-pyridinyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 119041692
5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 24604318
5-[3-(4-chlorophenoxy)propylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 24501218

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 119042084) is 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2cccc(Cl)n2)s1.
What is the InChIKey of 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OUPUTDIYNUQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S2/c1-2-12-9-14-15-10(17-9)16-6-7-4-3-5-8(11)13-7/h3-5H,2,6H2,1H3,(H,12,14).
What are the key properties of 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.81 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119042084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).