N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2S — CID 3343562

IUPACN,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(CC)C1=NC(C)C(C)S1
InChIInChI=1S/C9H18N2S/c1-5-11(6-2)9-10-7(3)8(4)12-9/h7-8H,5-6H2,1-4H3
InChIKeyJVACNFUVBGBYSQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.21
Rot. Bonds2

About N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine

N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3343562) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3343562
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(CC)C1=NC(C)C(C)S1
InChIInChI=1S/C9H18N2S/c1-5-11(6-2)9-10-7(3)8(4)12-9/h7-8H,5-6H2,1-4H3
InChIKeyJVACNFUVBGBYSQ-UHFFFAOYSA-N
XLogP2.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 3343562) is N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is CCN(CC)C1=NC(C)C(C)S1.
What is the InChIKey of N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JVACNFUVBGBYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-5-11(6-2)9-10-7(3)8(4)12-9/h7-8H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine?
N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3343562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).