N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine

C12H22N4S2 — CID 2968039

IUPACN,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC1(C)CN=C(NCCNC2=NCC(C)(C)S2)S1
InChIInChI=1S/C12H22N4S2/c1-11(2)7-15-9(17-11)13-5-6-14-10-16-8-12(3,4)18-10/h5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYUNXGYREQIZSFQ-UHFFFAOYSA-N
MW286.47 g/mol
LogP1.93
Rot. Bonds3

About N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine

N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 2968039) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID2968039
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC NameN,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC1(C)CN=C(NCCNC2=NCC(C)(C)S2)S1
InChIInChI=1S/C12H22N4S2/c1-11(2)7-15-9(17-11)13-5-6-14-10-16-8-12(3,4)18-10/h5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYUNXGYREQIZSFQ-UHFFFAOYSA-N
XLogP1.93
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 2968039) is N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine is CC1(C)CN=C(NCCNC2=NCC(C)(C)S2)S1.
What is the InChIKey of N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is YUNXGYREQIZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-11(2)7-15-9(17-11)13-5-6-14-10-16-8-12(3,4)18-10/h5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine?
N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 286.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5,5-dimethyl-4H-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 2968039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).