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

C11H18N2OS — CID 103894937

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
SMILESCc1cnc(CNC2CCCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-9-7-13-11(15-9)8-12-10-3-2-5-14-6-4-10/h7,10,12H,2-6,8H2,1H3
InChIKeyKGVKYRZZNBABDU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.11
Rot. Bonds3

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine (PubChem CID 103894937) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
PubChem CID103894937
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
SMILESCc1cnc(CNC2CCCOCC2)s1
InChIInChI=1S/C11H18N2OS/c1-9-7-13-11(15-9)8-12-10-3-2-5-14-6-4-10/h7,10,12H,2-6,8H2,1H3
InChIKeyKGVKYRZZNBABDU-UHFFFAOYSA-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-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
(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
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine (CID 103894937) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine is Cc1cnc(CNC2CCCOCC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine?
The InChIKey is KGVKYRZZNBABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-7-13-11(15-9)8-12-10-3-2-5-14-6-4-10/h7,10,12H,2-6,8H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine?
N-[(5-methyl-1,3-thiazol-2-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 N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine is sourced from PubChem (CID 103894937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).