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

C9H12N4S2 — CID 65268800

IUPACN-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(Cc2csc(C)n2)ns1
InChIInChI=1S/C9H12N4S2/c1-3-10-9-12-8(13-15-9)4-7-5-14-6(2)11-7/h5H,3-4H2,1-2H3,(H,10,12,13)
InChIKeySUBGUSQKSOSNNO-UHFFFAOYSA-N
MW240.36 g/mol
LogP2.33
Rot. Bonds4

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

N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65268800) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65268800
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC NameN-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(Cc2csc(C)n2)ns1
InChIInChI=1S/C9H12N4S2/c1-3-10-9-12-8(13-15-9)4-7-5-14-6(2)11-7/h5H,3-4H2,1-2H3,(H,10,12,13)
InChIKeySUBGUSQKSOSNNO-UHFFFAOYSA-N
XLogP2.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267638
N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269268
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268749
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277152
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 62797947
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66304558
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65268800) is N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is CCNc1nc(Cc2csc(C)n2)ns1.
What is the InChIKey of N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SUBGUSQKSOSNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-3-10-9-12-8(13-15-9)4-7-5-14-6(2)11-7/h5H,3-4H2,1-2H3,(H,10,12,13).
What are the key properties of N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 240.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).