5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C12H20N4S — CID 79771683

IUPAC5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(N3CCCC3)C2)s1
InChIInChI=1S/C12H20N4S/c13-12-14-7-11(17-12)9-15-6-3-10(8-15)16-4-1-2-5-16/h7,10H,1-6,8-9H2,(H2,13,14)
InChIKeyBPDKQWBTSGJOTE-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.40
Rot. Bonds3

About 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79771683) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79771683
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(N3CCCC3)C2)s1
InChIInChI=1S/C12H20N4S/c13-12-14-7-11(17-12)9-15-6-3-10(8-15)16-4-1-2-5-16/h7,10H,1-6,8-9H2,(H2,13,14)
InChIKeyBPDKQWBTSGJOTE-UHFFFAOYSA-N
XLogP1.40
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901665
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
[5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765681
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904133

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 79771683) is 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(N3CCCC3)C2)s1.
What is the InChIKey of 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BPDKQWBTSGJOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c13-12-14-7-11(17-12)9-15-6-3-10(8-15)16-4-1-2-5-16/h7,10H,1-6,8-9H2,(H2,13,14).
What are the key properties of 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).