(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine

C9H16N2OS — CID 135132830

IUPAC(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine
SMILESCC[C@@H](OC)[C@H](N)Cc1cscn1
InChIInChI=1S/C9H16N2OS/c1-3-9(12-2)8(10)4-7-5-13-6-11-7/h5-6,8-9H,3-4,10H2,1-2H3/t8-,9-/m1/s1
InChIKeySGODPHDIVSDZRQ-RKDXNWHRSA-N
MW200.31 g/mol
LogP1.44
Rot. Bonds5

About (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine

(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine (PubChem CID 135132830) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine
PubChem CID135132830
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine
SMILESCC[C@@H](OC)[C@H](N)Cc1cscn1
InChIInChI=1S/C9H16N2OS/c1-3-9(12-2)8(10)4-7-5-13-6-11-7/h5-6,8-9H,3-4,10H2,1-2H3/t8-,9-/m1/s1
InChIKeySGODPHDIVSDZRQ-RKDXNWHRSA-N
XLogP1.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine?
The IUPAC name of (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine (CID 135132830) is (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine.
What is the SMILES notation for (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine?
The canonical SMILES for (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine is CC[C@@H](OC)[C@H](N)Cc1cscn1.
What is the InChIKey of (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine?
The InChIKey is SGODPHDIVSDZRQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-9(12-2)8(10)4-7-5-13-6-11-7/h5-6,8-9H,3-4,10H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine?
(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine is sourced from PubChem (CID 135132830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).