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

C8H16N2S — CID 12718866

IUPACN,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(CC)C1=NCC(C)S1
InChIInChI=1S/C8H16N2S/c1-4-10(5-2)8-9-6-7(3)11-8/h7H,4-6H2,1-3H3
InChIKeyXRMFELVTMAMONY-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.82
Rot. Bonds2

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

N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 12718866) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID12718866
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(CC)C1=NCC(C)S1
InChIInChI=1S/C8H16N2S/c1-4-10(5-2)8-9-6-7(3)11-8/h7H,4-6H2,1-3H3
InChIKeyXRMFELVTMAMONY-UHFFFAOYSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 12718866) is N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCN(CC)C1=NCC(C)S1.
What is the InChIKey of N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XRMFELVTMAMONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-10(5-2)8-9-6-7(3)11-8/h7H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 12718866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).