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

C9H15N3OS — CID 82745215

IUPAC4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCN(c1nc(CN)cs1)C1CCOC1
InChIInChI=1S/C9H15N3OS/c1-12(8-2-3-13-5-8)9-11-7(4-10)6-14-9/h6,8H,2-5,10H2,1H3
InChIKeyMSSIAZCCUSJAKJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.83
Rot. Bonds3

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

4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82745215) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82745215
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCN(c1nc(CN)cs1)C1CCOC1
InChIInChI=1S/C9H15N3OS/c1-12(8-2-3-13-5-8)9-11-7(4-10)6-14-9/h6,8H,2-5,10H2,1H3
InChIKeyMSSIAZCCUSJAKJ-UHFFFAOYSA-N
XLogP0.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 82745215) is 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is CN(c1nc(CN)cs1)C1CCOC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MSSIAZCCUSJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-12(8-2-3-13-5-8)9-11-7(4-10)6-14-9/h6,8H,2-5,10H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82745215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).