4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine

C9H17N3S — CID 59507582

IUPAC4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCN(CC)CCc1csc(N)n1
InChIInChI=1S/C9H17N3S/c1-3-12(4-2)6-5-8-7-13-9(10)11-8/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyQRPKDZBDTANUES-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.61
Rot. Bonds5

About 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine

4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 59507582) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID59507582
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCN(CC)CCc1csc(N)n1
InChIInChI=1S/C9H17N3S/c1-3-12(4-2)6-5-8-7-13-9(10)11-8/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyQRPKDZBDTANUES-UHFFFAOYSA-N
XLogP1.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine (CID 59507582) is 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine is CCN(CC)CCc1csc(N)n1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QRPKDZBDTANUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-12(4-2)6-5-8-7-13-9(10)11-8/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine?
4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59507582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).