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

C9H13BrN2OS — CID 130646271

IUPAC(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
SMILESBrc1cnc(CN[C@H]2CCCOC2)s1
InChIInChI=1S/C9H13BrN2OS/c10-8-4-12-9(14-8)5-11-7-2-1-3-13-6-7/h4,7,11H,1-3,5-6H2/t7-/m0/s1
InChIKeyNOTSMQALMDAREI-ZETCQYMHSA-N
MW277.19 g/mol
LogP2.17
Rot. Bonds3

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

(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine (PubChem CID 130646271) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
PubChem CID130646271
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
SMILESBrc1cnc(CN[C@H]2CCCOC2)s1
InChIInChI=1S/C9H13BrN2OS/c10-8-4-12-9(14-8)5-11-7-2-1-3-13-6-7/h4,7,11H,1-3,5-6H2/t7-/m0/s1
InChIKeyNOTSMQALMDAREI-ZETCQYMHSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 126987035
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-2-methylcyclobutan-1-amine
CID 131041756
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 115757871
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine?
The IUPAC name of (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine (CID 130646271) is (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine.
What is the SMILES notation for (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine?
The canonical SMILES for (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine is Brc1cnc(CN[C@H]2CCCOC2)s1.
What is the InChIKey of (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine?
The InChIKey is NOTSMQALMDAREI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c10-8-4-12-9(14-8)5-11-7-2-1-3-13-6-7/h4,7,11H,1-3,5-6H2/t7-/m0/s1.
What are the key properties of (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine?
(3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine has a molecular weight of 277.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine is sourced from PubChem (CID 130646271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).