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

C11H14N4OS2 — CID 119041711

IUPACN-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2cccc(OC)n2)s1
InChIInChI=1S/C11H14N4OS2/c1-3-12-10-14-15-11(18-10)17-7-8-5-4-6-9(13-8)16-2/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyLKUHUUCWXHYPGS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.67
Rot. Bonds6

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

N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 119041711) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID119041711
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2cccc(OC)n2)s1
InChIInChI=1S/C11H14N4OS2/c1-3-12-10-14-15-11(18-10)17-7-8-5-4-6-9(13-8)16-2/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyLKUHUUCWXHYPGS-UHFFFAOYSA-N
XLogP2.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 119041712
5-[(6-chloro-2-pyridinyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 119042084
5-[(6-amino-2-pyridinyl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 119050665
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 18269339
5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 33080782
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methoxyphenoxy)propan-2-ol
CID 30661617
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 24604318
4-[(6-methoxy-2-pyridinyl)methylsulfanyl]-2-methylaniline
CID 79148098
[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 113384726
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 119041711) is N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2cccc(OC)n2)s1.
What is the InChIKey of N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LKUHUUCWXHYPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-3-12-10-14-15-11(18-10)17-7-8-5-4-6-9(13-8)16-2/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).