(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine

C14H20N4OS — CID 154738050

IUPAC(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
SMILESCc1ncsc1CN[C@H]1CCCO[C@@H]1c1nccn1C
InChIInChI=1S/C14H20N4OS/c1-10-12(20-9-17-10)8-16-11-4-3-7-19-13(11)14-15-5-6-18(14)2/h5-6,9,11,13,16H,3-4,7-8H2,1-2H3/t11-,13-/m0/s1
InChIKeyYDLVXIZWIFWMEJ-AAEUAGOBSA-N
MW292.41 g/mol
LogP2.19
Rot. Bonds4

About (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine

(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine (PubChem CID 154738050) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
PubChem CID154738050
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
SMILESCc1ncsc1CN[C@H]1CCCO[C@@H]1c1nccn1C
InChIInChI=1S/C14H20N4OS/c1-10-12(20-9-17-10)8-16-11-4-3-7-19-13(11)14-15-5-6-18(14)2/h5-6,9,11,13,16H,3-4,7-8H2,1-2H3/t11-,13-/m0/s1
InChIKeyYDLVXIZWIFWMEJ-AAEUAGOBSA-N
XLogP2.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine?
The IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine (CID 154738050) is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine is Cc1ncsc1CN[C@H]1CCCO[C@@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine?
The InChIKey is YDLVXIZWIFWMEJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-12(20-9-17-10)8-16-11-4-3-7-19-13(11)14-15-5-6-18(14)2/h5-6,9,11,13,16H,3-4,7-8H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine?
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine has a molecular weight of 292.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine is sourced from PubChem (CID 154738050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).