N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine

C11H18N2S2 — CID 115729045

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
SMILESCc1nc(CCNC2CCSC2)sc1C
InChIInChI=1S/C11H18N2S2/c1-8-9(2)15-11(13-8)3-5-12-10-4-6-14-7-10/h10,12H,3-7H2,1-2H3
InChIKeyQZCNGHIQVRZYAP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.40
Rot. Bonds4

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine (PubChem CID 115729045) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
PubChem CID115729045
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
SMILESCc1nc(CCNC2CCSC2)sc1C
InChIInChI=1S/C11H18N2S2/c1-8-9(2)15-11(13-8)3-5-12-10-4-6-14-7-10/h10,12H,3-7H2,1-2H3
InChIKeyQZCNGHIQVRZYAP-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine (CID 115729045) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine is Cc1nc(CCNC2CCSC2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine?
The InChIKey is QZCNGHIQVRZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-9(2)15-11(13-8)3-5-12-10-4-6-14-7-10/h10,12H,3-7H2,1-2H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 115729045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).