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

C9H14N2OS — CID 63335816

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nc(CNC2CCOC2)cs1
InChIInChI=1S/C9H14N2OS/c1-7-11-9(6-13-7)4-10-8-2-3-12-5-8/h6,8,10H,2-5H2,1H3
InChIKeyVPGQOLYCBDHVKR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.33
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine (PubChem CID 63335816) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
PubChem CID63335816
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nc(CNC2CCOC2)cs1
InChIInChI=1S/C9H14N2OS/c1-7-11-9(6-13-7)4-10-8-2-3-12-5-8/h6,8,10H,2-5H2,1H3
InChIKeyVPGQOLYCBDHVKR-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 115671381
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
CID 64654695
1-(1,3-dioxan-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81101919
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
1,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 81325150
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine (CID 63335816) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine is Cc1nc(CNC2CCOC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is VPGQOLYCBDHVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-11-9(6-13-7)4-10-8-2-3-12-5-8/h6,8,10H,2-5H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 63335816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).