5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C7H8N4OS2 — CID 82439824

IUPAC5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCOCc1ncsc1-c1nnc(N)s1
InChIInChI=1S/C7H8N4OS2/c1-12-2-4-5(13-3-9-4)6-10-11-7(8)14-6/h3H,2H2,1H3,(H2,8,11)
InChIKeyVWQQQNONNOAPHT-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.39
Rot. Bonds3

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

5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82439824) has the molecular formula C7H8N4OS2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82439824
Molecular FormulaC7H8N4OS2
Molecular Weight228.30 g/mol
Exact Mass228.01
IUPAC Name5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCOCc1ncsc1-c1nnc(N)s1
InChIInChI=1S/C7H8N4OS2/c1-12-2-4-5(13-3-9-4)6-10-11-7(8)14-6/h3H,2H2,1H3,(H2,8,11)
InChIKeyVWQQQNONNOAPHT-UHFFFAOYSA-N
XLogP1.39
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433506
5-[2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440063
5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440671
5-(4-ethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 82428087
5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 84616743
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425677
5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82426676
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433513

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82439824) is 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is COCc1ncsc1-c1nnc(N)s1.
What is the InChIKey of 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VWQQQNONNOAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS2/c1-12-2-4-5(13-3-9-4)6-10-11-7(8)14-6/h3H,2H2,1H3,(H2,8,11).
What are the key properties of 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82439824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).