3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine

C14H25N3S — CID 116884905

IUPAC3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1nc(C2CCN(C)C2)sc1C(C)(C)CCN
InChIInChI=1S/C14H25N3S/c1-10-12(14(2,3)6-7-15)18-13(16-10)11-5-8-17(4)9-11/h11H,5-9,15H2,1-4H3
InChIKeyFFNOBNOVUBKYPG-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.50
Rot. Bonds4

About 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine

3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 116884905) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID116884905
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1nc(C2CCN(C)C2)sc1C(C)(C)CCN
InChIInChI=1S/C14H25N3S/c1-10-12(14(2,3)6-7-15)18-13(16-10)11-5-8-17(4)9-11/h11H,5-9,15H2,1-4H3
InChIKeyFFNOBNOVUBKYPG-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine (CID 116884905) is 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine is Cc1nc(C2CCN(C)C2)sc1C(C)(C)CCN.
What is the InChIKey of 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is FFNOBNOVUBKYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10-12(14(2,3)6-7-15)18-13(16-10)11-5-8-17(4)9-11/h11H,5-9,15H2,1-4H3.
What are the key properties of 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine?
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116884905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).