N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine

C13H21N3S — CID 65169165

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCN(C3CC3)C2)sc1C
InChIInChI=1S/C13H21N3S/c1-9-10(2)17-13(15-9)14-7-11-5-6-16(8-11)12-3-4-12/h11-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyHSQCOFGFNDLYEH-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.66
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169165) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169165
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCN(C3CC3)C2)sc1C
InChIInChI=1S/C13H21N3S/c1-9-10(2)17-13(15-9)14-7-11-5-6-16(8-11)12-3-4-12/h11-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyHSQCOFGFNDLYEH-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169165) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCC2CCN(C3CC3)C2)sc1C.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is HSQCOFGFNDLYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-10(2)17-13(15-9)14-7-11-5-6-16(8-11)12-3-4-12/h11-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).