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

C10H15N5S2 — CID 80609142

IUPACN-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CCc2cnc(NC)s2)s1
InChIInChI=1S/C10H15N5S2/c1-3-12-10-15-14-8(17-10)5-4-7-6-13-9(11-2)16-7/h6H,3-5H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyZKPZTRCXCOMWBL-UHFFFAOYSA-N
MW269.40 g/mol
LogP2.25
Rot. Bonds6

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

N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80609142) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80609142
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC NameN-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CCc2cnc(NC)s2)s1
InChIInChI=1S/C10H15N5S2/c1-3-12-10-15-14-8(17-10)5-4-7-6-13-9(11-2)16-7/h6H,3-5H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyZKPZTRCXCOMWBL-UHFFFAOYSA-N
XLogP2.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 80609142) is N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CCc2cnc(NC)s2)s1.
What is the InChIKey of N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZKPZTRCXCOMWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-3-12-10-15-14-8(17-10)5-4-7-6-13-9(11-2)16-7/h6H,3-5H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 269.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80609142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).