N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine

C8H14N4S2 — CID 62178560

IUPACN-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
SMILESCNc1snnc1CN1CCSCC1
InChIInChI=1S/C8H14N4S2/c1-9-8-7(10-11-14-8)6-12-2-4-13-5-3-12/h9H,2-6H2,1H3
InChIKeyZTBXMSPSBNXNNR-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.13
Rot. Bonds3

About N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine

N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine (PubChem CID 62178560) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
PubChem CID62178560
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC NameN-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
SMILESCNc1snnc1CN1CCSCC1
InChIInChI=1S/C8H14N4S2/c1-9-8-7(10-11-14-8)6-12-2-4-13-5-3-12/h9H,2-6H2,1H3
InChIKeyZTBXMSPSBNXNNR-UHFFFAOYSA-N
XLogP1.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine (CID 62178560) is N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine is CNc1snnc1CN1CCSCC1.
What is the InChIKey of N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The InChIKey is ZTBXMSPSBNXNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-9-8-7(10-11-14-8)6-12-2-4-13-5-3-12/h9H,2-6H2,1H3.
What are the key properties of N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine has a molecular weight of 230.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62178560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).