(1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine

C9H14N2OS — CID 131172129

IUPAC(1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine
SMILESCOC1(C(N)c2ccns2)CCC1
InChIInChI=1S/C9H14N2OS/c1-12-9(4-2-5-9)8(10)7-3-6-11-13-7/h3,6,8H,2,4-5,10H2,1H3
InChIKeyHBAWRJUQUVOBRM-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds3

About (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine

(1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine (PubChem CID 131172129) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine
PubChem CID131172129
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine
SMILESCOC1(C(N)c2ccns2)CCC1
InChIInChI=1S/C9H14N2OS/c1-12-9(4-2-5-9)8(10)7-3-6-11-13-7/h3,6,8H,2,4-5,10H2,1H3
InChIKeyHBAWRJUQUVOBRM-UHFFFAOYSA-N
XLogP1.71
TPSA48.14 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Amino(1,2-thiazol-5-yl)methyl]-3,3-bis(fluoromethyl)cyclobutan-1-ol
CID 165594686
(1-Methoxycyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 126985750
[(2-Methyloxolan-2-yl)-(1,2-thiazol-5-yl)methyl]hydrazine
CID 130787834
2-Methoxy-2-methyl-1-(1,2-thiazol-5-yl)propan-1-amine
CID 130855938
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanamine
CID 130871608
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol
CID 164652909
3,3-Dimethyl-1-[(1,2-thiazol-5-yl)methyl]cyclobutan-1-ol
CID 164652912
3-Amino-2,2-dimethyl-1-[(1,2-thiazol-5-yl)methyl]cyclobutan-1-ol
CID 164652915
1-[Amino(1,2-thiazol-5-yl)methyl]cyclobutan-1-ol
CID 165542346
1-[Amino(1,2-thiazol-5-yl)methyl]cyclopentan-1-ol
CID 165591787
9-(1,2-Thiazol-5-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 165591922
1-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-2-ol
CID 165595427

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine (CID 131172129) is (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine is COC1(C(N)c2ccns2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine?
The InChIKey is HBAWRJUQUVOBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-9(4-2-5-9)8(10)7-3-6-11-13-7/h3,6,8H,2,4-5,10H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine?
(1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 131172129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).