(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine

C9H14N2OS — CID 130891979

IUPAC(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
SMILESc1ncc(CN[C@H]2CCCOC2)s1
InChIInChI=1S/C9H14N2OS/c1-2-8(6-12-3-1)11-5-9-4-10-7-13-9/h4,7-8,11H,1-3,5-6H2/t8-/m0/s1
InChIKeyYSKCVYHXTQYDLG-QMMMGPOBSA-N
MW198.29 g/mol
LogP1.41
Rot. Bonds3

About (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine

(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine (PubChem CID 130891979) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
PubChem CID130891979
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
SMILESc1ncc(CN[C@H]2CCCOC2)s1
InChIInChI=1S/C9H14N2OS/c1-2-8(6-12-3-1)11-5-9-4-10-7-13-9/h4,7-8,11H,1-3,5-6H2/t8-/m0/s1
InChIKeyYSKCVYHXTQYDLG-QMMMGPOBSA-N
XLogP1.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
(3R)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 126987035
(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 130646271
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine
CID 114244609
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
CID 131176619

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine?
The IUPAC name of (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine (CID 130891979) is (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine.
What is the SMILES notation for (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine?
The canonical SMILES for (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine is c1ncc(CN[C@H]2CCCOC2)s1.
What is the InChIKey of (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine?
The InChIKey is YSKCVYHXTQYDLG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-8(6-12-3-1)11-5-9-4-10-7-13-9/h4,7-8,11H,1-3,5-6H2/t8-/m0/s1.
What are the key properties of (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine?
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine is sourced from PubChem (CID 130891979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).