2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride

C7H14ClN3S — CID 91927292

IUPAC2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride
SMILESCCN(CC)c1nc(N)cs1.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-3-10(4-2)7-9-6(8)5-11-7;/h5H,3-4,8H2,1-2H3;1H
InChIKeyFWGQFRSIZUAIKP-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.99
Rot. Bonds3

About 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride

2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride (PubChem CID 91927292) has the molecular formula C7H14ClN3S and a molecular weight of 207.73 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride
PubChem CID91927292
Molecular FormulaC7H14ClN3S
Molecular Weight207.73 g/mol
Exact Mass207.06
IUPAC Name2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride
SMILESCCN(CC)c1nc(N)cs1.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-3-10(4-2)7-9-6(8)5-11-7;/h5H,3-4,8H2,1-2H3;1H
InChIKeyFWGQFRSIZUAIKP-UHFFFAOYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride?
The IUPAC name of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride (CID 91927292) is 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride is CCN(CC)c1nc(N)cs1.Cl.
What is the InChIKey of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride?
The InChIKey is FWGQFRSIZUAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S.ClH/c1-3-10(4-2)7-9-6(8)5-11-7;/h5H,3-4,8H2,1-2H3;1H.
What are the key properties of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride?
2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride has a molecular weight of 207.73 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine;hydrochloride is sourced from PubChem (CID 91927292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).