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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Related Compounds

4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 2125344
4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 124843875
4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 68687633
4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64438217
N-cyclopropyl-4-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440192
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440341
4-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440789
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64440987
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65545654
N-(2,2-difluoroethyl)-4-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 116318542
N-cyclobutyl-N-(4-fluorooxolan-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 126856108
N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 126856204

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).