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

C11H19N3S2 — CID 62769358

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C11H19N3S2/c1-8-10(6-12-2)16-11(13-8)14(3)9-4-5-15-7-9/h9,12H,4-7H2,1-3H3
InChIKeySWDKXMVBXVLCNT-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.11
Rot. Bonds4

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

N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62769358) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62769358
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C2CCSC2)nc1C
InChIInChI=1S/C11H19N3S2/c1-8-10(6-12-2)16-11(13-8)14(3)9-4-5-15-7-9/h9,12H,4-7H2,1-3H3
InChIKeySWDKXMVBXVLCNT-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62769358) is N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine is CNCc1sc(N(C)C2CCSC2)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is SWDKXMVBXVLCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-8-10(6-12-2)16-11(13-8)14(3)9-4-5-15-7-9/h9,12H,4-7H2,1-3H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 257.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62769358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).