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

C8H12N2OS — CID 104693355

IUPACN-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(C2CCOC2)cs1
InChIInChI=1S/C8H12N2OS/c1-9-8-10-7(5-12-8)6-2-3-11-4-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyAZZQJLMEAYLKGX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.69
Rot. Bonds2

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

N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 104693355) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID104693355
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(C2CCOC2)cs1
InChIInChI=1S/C8H12N2OS/c1-9-8-10-7(5-12-8)6-2-3-11-4-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyAZZQJLMEAYLKGX-UHFFFAOYSA-N
XLogP1.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 104693355) is N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine is CNc1nc(C2CCOC2)cs1.
What is the InChIKey of N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is AZZQJLMEAYLKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-9-8-10-7(5-12-8)6-2-3-11-4-6/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine?
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 184.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 104693355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).