1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one

C14H22N2OS — CID 115090064

IUPAC1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(CC2CCN(C(C)C)C2)s1
InChIInChI=1S/C14H22N2OS/c1-10(2)16-5-4-12(9-16)7-14-15-8-13(18-14)6-11(3)17/h8,10,12H,4-7,9H2,1-3H3
InChIKeyJMMYVLVPBQPFOH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.55
Rot. Bonds5

About 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one

1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115090064) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
PubChem CID115090064
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(CC2CCN(C(C)C)C2)s1
InChIInChI=1S/C14H22N2OS/c1-10(2)16-5-4-12(9-16)7-14-15-8-13(18-14)6-11(3)17/h8,10,12H,4-7,9H2,1-3H3
InChIKeyJMMYVLVPBQPFOH-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090126
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090076
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077307
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-5-carbaldehyde
CID 115091074
1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090032
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one (CID 115090064) is 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1cnc(CC2CCN(C(C)C)C2)s1.
What is the InChIKey of 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is JMMYVLVPBQPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)16-5-4-12(9-16)7-14-15-8-13(18-14)6-11(3)17/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one?
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 266.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).