(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

C10H15N3OS — CID 103575811

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C10H15N3OS/c1-6-3-13(4-8(6)11)10(14)9-7(2)12-5-15-9/h5-6,8H,3-4,11H2,1-2H3
InChIKeyBLIFNIUFIRULKA-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.87
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 103575811) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID103575811
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C10H15N3OS/c1-6-3-13(4-8(6)11)10(14)9-7(2)12-5-15-9/h5-6,8H,3-4,11H2,1-2H3
InChIKeyBLIFNIUFIRULKA-UHFFFAOYSA-N
XLogP0.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone (CID 103575811) is (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CC(C)C(N)C1.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BLIFNIUFIRULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-3-13(4-8(6)11)10(14)9-7(2)12-5-15-9/h5-6,8H,3-4,11H2,1-2H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 103575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).