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

C8H10N4S2 — CID 64983158

IUPAC5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2scnc2C)s1
InChIInChI=1S/C8H10N4S2/c1-5-7(13-4-10-5)3-9-8-12-11-6(2)14-8/h4H,3H2,1-2H3,(H,9,12)
InChIKeyKUKFPCCIIYRHBE-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.22
Rot. Bonds3

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

5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64983158) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64983158
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2scnc2C)s1
InChIInChI=1S/C8H10N4S2/c1-5-7(13-4-10-5)3-9-8-12-11-6(2)14-8/h4H,3H2,1-2H3,(H,9,12)
InChIKeyKUKFPCCIIYRHBE-UHFFFAOYSA-N
XLogP2.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 64983158) is 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2scnc2C)s1.
What is the InChIKey of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KUKFPCCIIYRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-5-7(13-4-10-5)3-9-8-12-11-6(2)14-8/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 226.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).