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

C14H25N3S — CID 115090076

IUPAC2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(CC2CCN(C(C)C)C2)s1
InChIInChI=1S/C14H25N3S/c1-10(2)17-5-4-12(9-17)6-14-16-8-13(18-14)11(3)7-15/h8,10-12H,4-7,9,15H2,1-3H3
InChIKeyGUTCUFCTDZFSCV-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.48
Rot. Bonds5

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

2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115090076) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115090076
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(CC2CCN(C(C)C)C2)s1
InChIInChI=1S/C14H25N3S/c1-10(2)17-5-4-12(9-17)6-14-16-8-13(18-14)11(3)7-15/h8,10-12H,4-7,9,15H2,1-3H3
InChIKeyGUTCUFCTDZFSCV-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090126
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115090064
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090067
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-5-carbaldehyde
CID 115091074
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115089931
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine (CID 115090076) is 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine is CC(CN)c1cnc(CC2CCN(C(C)C)C2)s1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is GUTCUFCTDZFSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)17-5-4-12(9-17)6-14-16-8-13(18-14)11(3)7-15/h8,10-12H,4-7,9,15H2,1-3H3.
What are the key properties of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115090076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).