5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine

C10H17N3S — CID 64982547

IUPAC5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2(C)CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-8-12-13-9(14-8)11-7-10(2)5-3-4-6-10/h3-7H2,1-2H3,(H,11,13)
InChIKeyYINOQDNFTHJALG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.84
Rot. Bonds3

About 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64982547) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64982547
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2(C)CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-8-12-13-9(14-8)11-7-10(2)5-3-4-6-10/h3-7H2,1-2H3,(H,11,13)
InChIKeyYINOQDNFTHJALG-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine (CID 64982547) is 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2(C)CCCC2)s1.
What is the InChIKey of 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YINOQDNFTHJALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-12-13-9(14-8)11-7-10(2)5-3-4-6-10/h3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).