1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C9H16ClN3S — CID 130734575

IUPAC1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1csc(Cl)n1
InChIInChI=1S/C9H16ClN3S/c1-9(2,13(3)4)6-11-7-5-14-8(10)12-7/h5,11H,6H2,1-4H3
InChIKeyXGQHRHPZDBPDLE-UHFFFAOYSA-N
MW233.77 g/mol
LogP2.55
Rot. Bonds4

About 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 130734575) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID130734575
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC Name1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1csc(Cl)n1
InChIInChI=1S/C9H16ClN3S/c1-9(2,13(3)4)6-11-7-5-14-8(10)12-7/h5,11H,6H2,1-4H3
InChIKeyXGQHRHPZDBPDLE-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 130734575) is 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNc1csc(Cl)n1.
What is the InChIKey of 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is XGQHRHPZDBPDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3S/c1-9(2,13(3)4)6-11-7-5-14-8(10)12-7/h5,11H,6H2,1-4H3.
What are the key properties of 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 233.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-1,3-thiazol-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 130734575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).