(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine

C11H18N2OS — CID 124509220

IUPAC(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
SMILESCc1ncc(CN[C@@H]2CCCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-9-12-7-11(15-9)8-13-10-3-2-5-14-6-4-10/h7,10,13H,2-6,8H2,1H3/t10-/m1/s1
InChIKeyHNAJVNOCDXXNCF-SNVBAGLBSA-N
MW226.34 g/mol
LogP2.11
Rot. Bonds3

About (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine

(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine (PubChem CID 124509220) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
PubChem CID124509220
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
SMILESCc1ncc(CN[C@@H]2CCCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-9-12-7-11(15-9)8-13-10-3-2-5-14-6-4-10/h7,10,13H,2-6,8H2,1H3/t10-/m1/s1
InChIKeyHNAJVNOCDXXNCF-SNVBAGLBSA-N
XLogP2.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine?
The IUPAC name of (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine (CID 124509220) is (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine.
What is the SMILES notation for (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine?
The canonical SMILES for (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine is Cc1ncc(CN[C@@H]2CCCOCC2)s1.
What is the InChIKey of (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine?
The InChIKey is HNAJVNOCDXXNCF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-12-7-11(15-9)8-13-10-3-2-5-14-6-4-10/h7,10,13H,2-6,8H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine?
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine has a molecular weight of 226.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine is sourced from PubChem (CID 124509220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).