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

C10H18N4S2 — CID 62176297

IUPACN-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCSCC1
InChIInChI=1S/C10H18N4S2/c1-2-3-11-10-9(12-13-16-10)8-14-4-6-15-7-5-14/h11H,2-8H2,1H3
InChIKeyYMLPIDMGHKCBMW-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.91
Rot. Bonds5

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

N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine (PubChem CID 62176297) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
PubChem CID62176297
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC NameN-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCSCC1
InChIInChI=1S/C10H18N4S2/c1-2-3-11-10-9(12-13-16-10)8-14-4-6-15-7-5-14/h11H,2-8H2,1H3
InChIKeyYMLPIDMGHKCBMW-UHFFFAOYSA-N
XLogP1.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine (CID 62176297) is N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine is CCCNc1snnc1CN1CCSCC1.
What is the InChIKey of N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
The InChIKey is YMLPIDMGHKCBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-2-3-11-10-9(12-13-16-10)8-14-4-6-15-7-5-14/h11H,2-8H2,1H3.
What are the key properties of N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine?
N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine has a molecular weight of 258.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62176297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).