5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

C7H8N4S2 — CID 115924966

IUPAC5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cncs2)s1
InChIInChI=1S/C7H8N4S2/c1-5-10-11-7(13-5)9-3-6-2-8-4-12-6/h2,4H,3H2,1H3,(H,9,11)
InChIKeyOBKZNXPQGMYYPB-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.92
Rot. Bonds3

About 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 115924966) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID115924966
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cncs2)s1
InChIInChI=1S/C7H8N4S2/c1-5-10-11-7(13-5)9-3-6-2-8-4-12-6/h2,4H,3H2,1H3,(H,9,11)
InChIKeyOBKZNXPQGMYYPB-UHFFFAOYSA-N
XLogP1.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924665
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
4,6-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577485
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79003136
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
N-(1,3-thiazol-5-ylmethyl)thiadiazol-4-amine
CID 130660222
5-methyl-N-(thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107648317
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106418955
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924977

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 115924966) is 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cncs2)s1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OBKZNXPQGMYYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-5-10-11-7(13-5)9-3-6-2-8-4-12-6/h2,4H,3H2,1H3,(H,9,11).
What are the key properties of 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).