4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine

C7H10ClN3S — CID 131014767

IUPAC4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine
SMILESCC1(Nc2nc(Cl)cs2)CNC1
InChIInChI=1S/C7H10ClN3S/c1-7(3-9-4-7)11-6-10-5(8)2-12-6/h2,9H,3-4H2,1H3,(H,10,11)
InChIKeyXPQJQXXNPPMQNB-UHFFFAOYSA-N
MW203.70 g/mol
LogP1.57
Rot. Bonds2

About 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine

4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 131014767) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine
PubChem CID131014767
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine
SMILESCC1(Nc2nc(Cl)cs2)CNC1
InChIInChI=1S/C7H10ClN3S/c1-7(3-9-4-7)11-6-10-5(8)2-12-6/h2,9H,3-4H2,1H3,(H,10,11)
InChIKeyXPQJQXXNPPMQNB-UHFFFAOYSA-N
XLogP1.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine (CID 131014767) is 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine is CC1(Nc2nc(Cl)cs2)CNC1.
What is the InChIKey of 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is XPQJQXXNPPMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c1-7(3-9-4-7)11-6-10-5(8)2-12-6/h2,9H,3-4H2,1H3,(H,10,11).
What are the key properties of 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine?
4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 203.70 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylazetidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131014767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).