5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C12H21N3S2 — CID 55117650

IUPAC5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C12H21N3S2/c1-4-13-7-11-9(2)14-12(17-11)15(3)10-5-6-16-8-10/h10,13H,4-8H2,1-3H3
InChIKeyWAOZMKVNRFNATR-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.50
Rot. Bonds5

About 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 55117650) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID55117650
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C12H21N3S2/c1-4-13-7-11-9(2)14-12(17-11)15(3)10-5-6-16-8-10/h10,13H,4-8H2,1-3H3
InChIKeyWAOZMKVNRFNATR-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 55117650) is 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)C2CCSC2)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is WAOZMKVNRFNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-4-13-7-11-9(2)14-12(17-11)15(3)10-5-6-16-8-10/h10,13H,4-8H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 271.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).