5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine

C12H21N3OS — CID 88927672

IUPAC5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCCC(c1cnc(N)s1)N1CCC[C@H]1COC
InChIInChI=1S/C12H21N3OS/c1-3-10(11-7-14-12(13)17-11)15-6-4-5-9(15)8-16-2/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)/t9-,10?/m0/s1
InChIKeyPFZYBMZRHWVTPN-RGURZIINSA-N
MW255.39 g/mol
LogP2.29
Rot. Bonds5

About 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine

5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 88927672) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine
PubChem CID88927672
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCCC(c1cnc(N)s1)N1CCC[C@H]1COC
InChIInChI=1S/C12H21N3OS/c1-3-10(11-7-14-12(13)17-11)15-6-4-5-9(15)8-16-2/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)/t9-,10?/m0/s1
InChIKeyPFZYBMZRHWVTPN-RGURZIINSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine (CID 88927672) is 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine is CCC(c1cnc(N)s1)N1CCC[C@H]1COC.
What is the InChIKey of 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is PFZYBMZRHWVTPN-RGURZIINSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-10(11-7-14-12(13)17-11)15-6-4-5-9(15)8-16-2/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)/t9-,10?/m0/s1.
What are the key properties of 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine?
5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88927672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).