N,N-diethyl-4-imino-1,3-thiazol-2-amine

C7H13N3S — CID 2094168

IUPACN,N-diethyl-4-imino-1,3-thiazol-2-amine
SMILES[H]/N=C1\CSC(N(CC)CC)=N1
InChIInChI=1S/C7H13N3S/c1-3-10(4-2)7-9-6(8)5-11-7/h8H,3-5H2,1-2H3/b8-6+
InChIKeyAMLGZQCNDVPDGZ-SOFGYWHQSA-N
MW171.27 g/mol
LogP1.41
Rot. Bonds2

About N,N-diethyl-4-imino-1,3-thiazol-2-amine

N,N-diethyl-4-imino-1,3-thiazol-2-amine (PubChem CID 2094168) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N,N-diethyl-4-imino-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-imino-1,3-thiazol-2-amine
PubChem CID2094168
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN,N-diethyl-4-imino-1,3-thiazol-2-amine
SMILES[H]/N=C1\CSC(N(CC)CC)=N1
InChIInChI=1S/C7H13N3S/c1-3-10(4-2)7-9-6(8)5-11-7/h8H,3-5H2,1-2H3/b8-6+
InChIKeyAMLGZQCNDVPDGZ-SOFGYWHQSA-N
XLogP1.41
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-imino-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4-imino-1,3-thiazol-2-amine (CID 2094168) is N,N-diethyl-4-imino-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4-imino-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4-imino-1,3-thiazol-2-amine is [H]/N=C1\CSC(N(CC)CC)=N1.
What is the InChIKey of N,N-diethyl-4-imino-1,3-thiazol-2-amine?
The InChIKey is AMLGZQCNDVPDGZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-10(4-2)7-9-6(8)5-11-7/h8H,3-5H2,1-2H3/b8-6+.
What are the key properties of N,N-diethyl-4-imino-1,3-thiazol-2-amine?
N,N-diethyl-4-imino-1,3-thiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-imino-1,3-thiazol-2-amine is sourced from PubChem (CID 2094168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).