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

C10H12N4S — CID 82739102

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1cccnc1CNc1ncns1
InChIInChI=1S/C10H12N4S/c1-2-8-4-3-5-11-9(8)6-12-10-13-7-14-15-10/h3-5,7H,2,6H2,1H3,(H,12,13,14)
InChIKeyBOYWIZUXEMTVKY-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.11
Rot. Bonds4

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

N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 82739102) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID82739102
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1cccnc1CNc1ncns1
InChIInChI=1S/C10H12N4S/c1-2-8-4-3-5-11-9(8)6-12-10-13-7-14-15-10/h3-5,7H,2,6H2,1H3,(H,12,13,14)
InChIKeyBOYWIZUXEMTVKY-UHFFFAOYSA-N
XLogP2.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-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

N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82748895
2-[2-[(1,2,4-thiadiazol-5-ylamino)methyl]phenyl]acetic acid
CID 81318048
5-N-[(3-ethyl-2-pyridinyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364900
7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 82741856
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82745641
N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972962
2,3-diethylpyridine
CID 14747123
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786832
N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
CID 114600732
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (CID 82739102) is N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is CCc1cccnc1CNc1ncns1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BOYWIZUXEMTVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-8-4-3-5-11-9(8)6-12-10-13-7-14-15-10/h3-5,7H,2,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 220.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82739102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).