N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 122149506

IUPACN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC[C@@H]2CC[C@H](C)N2C)n1
InChIInChI=1S/C10H18N4S/c1-7-4-5-9(14(7)3)6-11-10-12-8(2)13-15-10/h7,9H,4-6H2,1-3H3,(H,11,12,13)/t7-,9-/m0/s1
InChIKeyYWOBVMGMXXTCHT-CBAPKCEASA-N
MW226.35 g/mol
LogP1.74
Rot. Bonds3

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

N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 122149506) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID122149506
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC[C@@H]2CC[C@H](C)N2C)n1
InChIInChI=1S/C10H18N4S/c1-7-4-5-9(14(7)3)6-11-10-12-8(2)13-15-10/h7,9H,4-6H2,1-3H3,(H,11,12,13)/t7-,9-/m0/s1
InChIKeyYWOBVMGMXXTCHT-CBAPKCEASA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 122149506) is N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC[C@@H]2CC[C@H](C)N2C)n1.
What is the InChIKey of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YWOBVMGMXXTCHT-CBAPKCEASA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-4-5-9(14(7)3)6-11-10-12-8(2)13-15-10/h7,9H,4-6H2,1-3H3,(H,11,12,13)/t7-,9-/m0/s1.
What are the key properties of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 122149506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).