N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine

C8H15N3S — CID 61465270

IUPACN-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCC(NC2=NCCS2)C1
InChIInChI=1S/C8H15N3S/c1-11-4-2-7(6-11)10-8-9-3-5-12-8/h7H,2-6H2,1H3,(H,9,10)
InChIKeyXHWYXQTZKONPRE-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.38
Rot. Bonds1

About N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61465270) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61465270
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCC(NC2=NCCS2)C1
InChIInChI=1S/C8H15N3S/c1-11-4-2-7(6-11)10-8-9-3-5-12-8/h7H,2-6H2,1H3,(H,9,10)
InChIKeyXHWYXQTZKONPRE-UHFFFAOYSA-N
XLogP0.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61465270) is N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CN1CCC(NC2=NCCS2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XHWYXQTZKONPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-11-4-2-7(6-11)10-8-9-3-5-12-8/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61465270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).