N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C10H17N3S2 — CID 80595699

IUPACN-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C2CCCCS2)s1
InChIInChI=1S/C10H17N3S2/c1-11-6-5-9-12-13-10(15-9)8-4-2-3-7-14-8/h8,11H,2-7H2,1H3
InChIKeyXHQPJTXNRRKDJH-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.26
Rot. Bonds4

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

N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 80595699) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID80595699
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC NameN-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C2CCCCS2)s1
InChIInChI=1S/C10H17N3S2/c1-11-6-5-9-12-13-10(15-9)8-4-2-3-7-14-8/h8,11H,2-7H2,1H3
InChIKeyXHQPJTXNRRKDJH-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 80595699) is N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CNCCc1nnc(C2CCCCS2)s1.
What is the InChIKey of N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is XHQPJTXNRRKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-11-6-5-9-12-13-10(15-9)8-4-2-3-7-14-8/h8,11H,2-7H2,1H3.
What are the key properties of N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 243.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(thian-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 80595699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).