(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine

C10H18N4S — CID 72882074

IUPAC(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine
SMILESCc1nnc(N2C[C@H](C(C)C)[C@@H](N)C2)s1
InChIInChI=1S/C10H18N4S/c1-6(2)8-4-14(5-9(8)11)10-13-12-7(3)15-10/h6,8-9H,4-5,11H2,1-3H3/t8-,9+/m1/s1
InChIKeyNKVUOYGZXYNWTR-BDAKNGLRSA-N
MW226.35 g/mol
LogP1.27
Rot. Bonds2

About (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine

(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 72882074) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine
PubChem CID72882074
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine
SMILESCc1nnc(N2C[C@H](C(C)C)[C@@H](N)C2)s1
InChIInChI=1S/C10H18N4S/c1-6(2)8-4-14(5-9(8)11)10-13-12-7(3)15-10/h6,8-9H,4-5,11H2,1-3H3/t8-,9+/m1/s1
InChIKeyNKVUOYGZXYNWTR-BDAKNGLRSA-N
XLogP1.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine (CID 72882074) is (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine is Cc1nnc(N2C[C@H](C(C)C)[C@@H](N)C2)s1.
What is the InChIKey of (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is NKVUOYGZXYNWTR-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N4S/c1-6(2)8-4-14(5-9(8)11)10-13-12-7(3)15-10/h6,8-9H,4-5,11H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine?
(3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 226.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 72882074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).